Tuesday, July 19, 2011

http://ChemLookup.com Compounds



CAS RN: 70601-68-2
CAS Name: acetic acid; N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-[[(2S)-1-ethyl-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-(4-pheny
OPENEYE Name: acetic acid; benzyl N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]-[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-[(4-benzyloxyphenyl)methyl]-2-oxo-e
IUPAC Name: acetic acid; benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxo-3-(4-phenylmethox
SYSTEMATIC NAME: ethanoic acid; (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]-[(2S)-1-ethylpyrrolidin-2-yl]carbonyl-amino]-1-oxi
MOLECULAR FORMULA: C72H93N13O16
MOLECULAR WEIGHT: 1396.58632
SMILES: CCN1CCC[C@H]1C(=O)N(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)OC)N)C(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)OCC7=CC=CC=C7.CC(=O)O
Structure:
CAS RN: 71033-69-7
CAS Name: acetic acid; N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxo-3-phenylpropan-2-yl]amino
OPENEYE Name: acetic acid; benzyl N-[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R,2S)-1-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-2-phenyl-ethyl]amino]-1-[(4-hydroxyphenyl)methy
IUPAC Name: acetic acid; benzyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxo-3-phenylpropan-2-y
SYSTEMATIC NAME: ethanoic acid; (phenylmethyl) N-[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amin
MOLECULAR FORMULA: C66H88N14O16
MOLECULAR WEIGHT: 1333.48912
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@H](C2=CC=CC=C2)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)N)NC(=O)OCC6=CC=CC=C6.CC(=O)O
Structure:
CAS RN: 64153-23-7
CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[[(2S)-1-ethyl-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxy
OPENEYE Name: formamidomethyl N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-benzyl-2-[[(1S)-1-[[(1S)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-benzyloxyphenyl)methyl]-2-oxo-ethyl]amino]
IUPAC Name: formamidomethyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(4-ph
SYSTEMATIC NAME: formamidomethyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-ethylpyrrolidin-2-yl]carbonylamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-p
MOLECULAR FORMULA: C64H85ClN14O14
MOLECULAR WEIGHT: 1309.8981
SMILES: CCN1CCC[C@H]1C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)OCNC=O.Cl
Structure:
CAS RN: 91224-37-2
CAS Name: 2-[[[1-[6-amino-2-[[[1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-N-[5-amino-1-[[1-[[1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]
OPENEYE Name: 2-[[1-[6-amino-2-[[1-(2-amino-5-guanidino-pentanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[4-amino-1-[[2-[[1-benzyl-2-[[2-[[1-[(1-carbamoyl-3-methyl-butyl)carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl
IUPAC Name: 2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-y
SYSTEMATIC NAME: 2-[[1-[6-azanyl-2-[[1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-N-[5-azanyl-1-[[1-[[1-[[1-[[1-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-4-methyl-1-oxidanylidene-pe
MOLECULAR FORMULA: C75H108N20O13
MOLECULAR WEIGHT: 1497.78622
SMILES: CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C6CCCN6C(=O)C(CCCCN)NC(=O)C7CCCN7C(=O)C(CCCN=C(N)N)N
Structure:
CAS RN: 119400-70-3
CAS Name: (4S)-4-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[(2-amino-1-oxoethyl)amino]-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminom
OPENEYE Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]p
IUPAC Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)p
SYSTEMATIC NAME: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-(2-azanylethanoylamino)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]
MOLECULAR FORMULA: C70H108N20O22
MOLECULAR WEIGHT: 1581.72732
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC
Structure:
CAS RN: 119400-71-4
CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropy
OPENEYE Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]propanoyl]pyrrolidine-2-carbon
IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbony
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]propanoyl]pyrrolidin-2-yl]
MOLECULAR FORMULA: C66H108N24O19S
MOLECULAR WEIGHT: 1573.77812
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC4=CN=CN4
Structure:
CAS RN: 99533-81-0
CAS Name: (4Z)-5-amino-N-[3-[4-[3-[[[(4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1H-pyridin-2-yl]-oxomethyl]amino]propylamino]butylamino]propyl]-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolinyl)-
OPENEYE Name: (4Z)-5-amino-N-[3-[4-[3-[[(4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolyl)-4-(4,5-dimethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carbonyl]amino]propylamino]butylamino]propyl]-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolyl)-4-(4,5-d
IUPAC Name: (4Z)-5-amino-N-[3-[4-[3-[[(4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carbonyl]amino]propylamino]butylamino]propyl]-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,
SYSTEMATIC NAME: (4Z)-5-azanyl-N-[3-[4-[3-[[(4Z)-5-azanyl-6-[7-azanyl-6-methoxy-5,8-bis(oxidanylidene)quinolin-2-yl]-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridin-2-yl]carbonylamino]propylamino]butylamino]propyl]-6-[7-azanyl-6-methoxy-
MOLECULAR FORMULA: C60H66N12O14
MOLECULAR WEIGHT: 1179.23804
SMILES: CC\1=C(NC(=C(/C1=C/2\C(=O)C(=C(C=C2)OC)OC)N)C3=NC4=C(C(=O)C(=C(C4=O)N)OC)C=C3)C(=O)NCCCNCCCCNCCCNC(=O)C5=C(/C(=C\6/C(=O)C(=C(C=C6)OC)OC)/C(=C(N5)C7=NC8=C(C(=O)C(=C(C8=O)N)OC)C=C7)N)C
Structure:
CAS RN: 57773-65-6
CAS Name: N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxoprop
OPENEYE Name: N-[2-[[2-[[2-[[2-[[2-[[1-[[1-[2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H
IUPAC Name: N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxoprop
SYSTEMATIC NAME: N-[1-[[1-[[1-[[1-[[1-[[1-[[5-[bis(azanyl)methylideneamino]-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxid
MOLECULAR FORMULA: C64H83N17O12
MOLECULAR WEIGHT: 1282.45052
SMILES: CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8
Structure:
CAS RN: 11115-67-6
CAS Name: oxoammonium; vanadium
OPENEYE Name: oxoammonium; vanadium
IUPAC Name: oxoazanium; vanadium
SYSTEMATIC NAME: oxidanylideneazanium; vanadium
MOLECULAR FORMULA: H2NOV+
MOLECULAR WEIGHT: 82.96348
SMILES: [NH2+]=O.[V]
Structure:
CAS RN: 185860-69-9
CAS Name: oxoammonium; vanadium
OPENEYE Name: oxoammonium; vanadium
IUPAC Name: oxoazanium; vanadium
SYSTEMATIC NAME: oxidanylideneazanium; vanadium
MOLECULAR FORMULA: H2NOV+
MOLECULAR WEIGHT: 82.96348
SMILES: [NH2+]=O.[V]
Structure:
CAS RN: 37217-48-4
CAS Name: oxoammonium; vanadium
OPENEYE Name: oxoammonium; vanadium
IUPAC Name: oxoazanium; vanadium
SYSTEMATIC NAME: oxidanylideneazanium; vanadium
MOLECULAR FORMULA: H2NOV+
MOLECULAR WEIGHT: 82.96348
SMILES: [NH2+]=O.[V]
Structure:
CAS RN: 51845-72-8
CAS Name: oxoammonium; vanadium
OPENEYE Name: oxoammonium; vanadium
IUPAC Name: oxoazanium; vanadium
SYSTEMATIC NAME: oxidanylideneazanium; vanadium
MOLECULAR FORMULA: H2NOV+
MOLECULAR WEIGHT: 82.96348
SMILES: [NH2+]=O.[V]
Structure:
CAS RN: 83539-08-6
CAS Name: (2R)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(4-chlorophenyl)-1-oxopropyl]amino]-3-(4-chlorophenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphe
OPENEYE Name: (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(4-chlorophenyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoy
IUPAC Name: (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(4-chlorophenyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl
SYSTEMATIC NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(4-chlorophenyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propano
MOLECULAR FORMULA: C69H91Cl2N17O14
MOLECULAR WEIGHT: 1453.47234
SMILES: C[C@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)C
Structure:
CAS RN: 120287-85-6
CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-(4-chlorophenyl)-1-oxopropyl]amino]-1-oxo-3-(3-pyridinyl)propyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopr
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(2-naphthyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(3-pyridyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-ureido
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(ca
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-yl-propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-yl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5
MOLECULAR FORMULA: C70H92ClN17O14
MOLECULAR WEIGHT: 1431.03798
SMILES: C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C
Structure:
CAS RN: 130289-71-3
CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-(4-chlorophenyl)-1-oxopropyl]amino]-1-oxo-3-(3-pyridinyl)propyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopr
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(2-naphthyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(3-pyridyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-ureido
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(ca
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-yl-propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-yl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5
MOLECULAR FORMULA: C72H93ClF3N17O16
MOLECULAR WEIGHT: 1545.06133
SMILES: C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.C(=O)(C(F)(F)F)O
Structure:
CAS RN: 78708-43-7
CAS Name: (2S)-1-acetyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropa
OPENEYE Name: (2S)-1-acetyl-N-[(1R)-2-[[(1R)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl
IUPAC Name: (2S)-1-acetyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]a
SYSTEMATIC NAME: (2S)-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-i
MOLECULAR FORMULA: C69H85FN16O13
MOLECULAR WEIGHT: 1365.511003
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H](CC7=CC=C(C=C7)F)NC(=O)[C@@H]8C=CCN8C(=O)C
Structure:
CAS RN: 703-91-3
CAS Name: 5-bromo-2-(trifluoromethyl)aniline
OPENEYE Name: 5-bromo-2-(trifluoromethyl)aniline
IUPAC Name: 5-bromo-2-(trifluoromethyl)aniline
SYSTEMATIC NAME: 5-bromanyl-2-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H5BrF3N
MOLECULAR WEIGHT: 240.02051
SMILES: C1=CC(=C(C=C1Br)N)C(F)(F)F
Structure:
CAS RN: 446-60-6
CAS Name: 2-chloro-1-fluoro-3-methoxybenzene
OPENEYE Name: 2-chloro-1-fluoro-3-methoxy-benzene
IUPAC Name: 2-chloro-1-fluoro-3-methoxybenzene
SYSTEMATIC NAME: 2-chloranyl-1-fluoranyl-3-methoxy-benzene
MOLECULAR FORMULA: C7H6ClFO
MOLECULAR WEIGHT: 160.573343
SMILES: COC1=C(C(=CC=C1)F)Cl
Structure:
CAS RN: 103440-54-6
CAS Name: 5-iodo-2-methylbenzoic acid methyl ester
OPENEYE Name: methyl 5-iodo-2-methyl-benzoate
IUPAC Name: methyl 5-iodo-2-methylbenzoate
SYSTEMATIC NAME: methyl 5-iodanyl-2-methyl-benzoate
MOLECULAR FORMULA: C9H9IO2
MOLECULAR WEIGHT: 276.07103
SMILES: CC1=C(C=C(C=C1)I)C(=O)OC
Structure:
CAS RN: 1912-42-1
CAS Name: 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
OPENEYE Name: 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
IUPAC Name: 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
SYSTEMATIC NAME: 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanoic acid
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: C1=CC2=C(NC=C2CC(=O)O)N=C1
Structure:
CAS RN: 912347-94-5
CAS Name: 1-(2-amino-4-methoxy-3-methylphenyl)ethanone
OPENEYE Name: 1-(2-amino-4-methoxy-3-methyl-phenyl)ethanone
IUPAC Name: 1-(2-amino-4-methoxy-3-methylphenyl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-4-methoxy-3-methyl-phenyl)ethanone
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CC1=C(C=CC(=C1N)C(=O)C)OC
Structure:
CAS RN: 875781-43-4
CAS Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine
OPENEYE Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine
IUPAC Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine
SYSTEMATIC NAME: 2-bromanyl-5H-pyrrolo[2,3-b]pyrazine
MOLECULAR FORMULA: C6H4BrN3
MOLECULAR WEIGHT: 198.02006
SMILES: C1=CNC2=NC=C(N=C21)Br
Structure:
CAS RN: 1027512-72-6
CAS Name: 2,5-dibromo-1-chloro-3-(trifluoromethyl)benzene
OPENEYE Name: 2,5-dibromo-1-chloro-3-(trifluoromethyl)benzene
IUPAC Name: 2,5-dibromo-1-chloro-3-(trifluoromethyl)benzene
SYSTEMATIC NAME: 2,5-bis(bromanyl)-1-chloranyl-3-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H2Br2ClF3
MOLECULAR WEIGHT: 338.34699
SMILES: C1=C(C=C(C(=C1Cl)Br)C(F)(F)F)Br
Structure:
CAS RN: 1027512-27-1
CAS Name: 1,5-dibromo-2-chloro-3-(trifluoromethyl)benzene
OPENEYE Name: 1,5-dibromo-2-chloro-3-(trifluoromethyl)benzene
IUPAC Name: 1,5-dibromo-2-chloro-3-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1,5-bis(bromanyl)-2-chloranyl-3-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H2Br2ClF3
MOLECULAR WEIGHT: 338.34699
SMILES: C1=C(C=C(C(=C1Br)Cl)C(F)(F)F)Br
Structure:
CAS RN: 920759-93-9
CAS Name: 2-chloro-3-methylbenzoic acid methyl ester
OPENEYE Name: methyl 2-chloro-3-methyl-benzoate
IUPAC Name: methyl 2-chloro-3-methylbenzoate
SYSTEMATIC NAME: methyl 2-chloranyl-3-methyl-benzoate
MOLECULAR FORMULA: C9H9ClO2
MOLECULAR WEIGHT: 184.61956
SMILES: CC1=CC=CC(=C1Cl)C(=O)OC
Structure:
CAS RN: 359629-91-7
CAS Name: 5-bromo-2-methylbenzoic acid ethyl ester
OPENEYE Name: ethyl 5-bromo-2-methyl-benzoate
IUPAC Name: ethyl 5-bromo-2-methylbenzoate
SYSTEMATIC NAME: ethyl 5-bromanyl-2-methyl-benzoate
MOLECULAR FORMULA: C10H11BrO2
MOLECULAR WEIGHT: 243.09714
SMILES: CCOC(=O)C1=C(C=CC(=C1)Br)C
Structure:
CAS RN: 911434-05-4
CAS Name: 5-bromo-2-methyl-3-nitropyridine
OPENEYE Name: 5-bromo-2-methyl-3-nitro-pyridine
IUPAC Name: 5-bromo-2-methyl-3-nitropyridine
SYSTEMATIC NAME: 5-bromanyl-2-methyl-3-nitro-pyridine
MOLECULAR FORMULA: C6H5BrN2O2
MOLECULAR WEIGHT: 217.0201
SMILES: CC1=NC=C(C=C1[N+](=O)[O-])Br
Structure:
CAS RN: 286942-97-0
CAS Name: (2S)-2-amino-5-[[(2R)-1-[[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-5-oxopentanoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl (2S)-2-amino-5-[[(1R)-1-(benzylsulfanylmethyl)-2-[[(1R)-2-ethoxy-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate hydrochloride
IUPAC Name: ethyl (2S)-2-amino-5-[[(2R)-3-benzylsulfanyl-1-[[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate hydrochloride
SYSTEMATIC NAME: ethyl (2S)-2-azanyl-5-[[(2R)-1-[[(1R)-2-ethoxy-2-oxidanylidene-1-phenyl-ethyl]amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate hydrochloride
MOLECULAR FORMULA: C27H36ClN3O6S
MOLECULAR WEIGHT: 566.10924
SMILES: CCOC(=O)[C@H](CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@H](C2=CC=CC=C2)C(=O)OCC)N.Cl
Structure:
CAS RN: 71-68-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20ClNO3
MOLECULAR WEIGHT: 321.7986
SMILES: [H+].CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4.[Cl-]
Structure:
CAS RN: 68584-25-8
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-tridecan-3-ylbenzenesulfonic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-(1-ethylundecyl)benzenesulfonic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-tridecan-3-ylbenzenesulfonic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-tridecan-3-ylbenzenesulfonic acid
MOLECULAR FORMULA: C25H47NO6S
MOLECULAR WEIGHT: 489.70878
SMILES: CCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 72496-92-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H25N10Na3O15S3
MOLECULAR WEIGHT: 1050.84881
SMILES: C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=C(C(=C5)N=NC6=CC=C(C=C6)NC7=C(C=C(C=C7)[N+](=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+].[Na+]
Structure:
CAS RN: 84963-16-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H26N10Na4O16S2
MOLECULAR WEIGHT: 1082.80232
SMILES: COC1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC(=C(C=C4)O)C(=O)[O-])S(=O)(=O)[O-])OC)N=NC5=C(C=C6C(=C5O)C=CC(=C6N=NC7=C(C=C(C=C7)[N+](=O)[O-])C(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 85959-46-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H20N10O11S
MOLECULAR WEIGHT: 728.6052
SMILES: C1=CC(=CC=C1N=NC2=C(C(=C(C=C2)O)N=NC3=CC(=C(C=C3)S(=O)(=O)O)N=NC4=C(C=CC(=C4O)N=NC5=CC=C(C=C5)[N+](=O)[O-])O)O)[N+](=O)[O-]
Structure:

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