CAS RN: 97280-48-3
CAS Name: (2S)-1-[(2R)-1-oxo-2-[[phenoxy(2-phenylethyl)phosphoryl]amino]propyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2R)-2-[[phenoxy(2-phenylethyl)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2R)-2-[[phenoxy(2-phenylethyl)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2R)-2-[[phenoxy(2-phenylethyl)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C22H27N2O5P
MOLECULAR WEIGHT: 430.433941
SMILES: C[C@H](C(=O)N1CCC[C@H]1C(=O)O)NP(=O)(CCC2=CC=CC=C2)OC3=CC=CC=C3
Structure:
CAS RN: 97280-42-7
CAS Name: (2S)-1-[(2R)-2-[bis(4-nitrophenoxy)phosphorylamino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-1-[(2R)-2-[bis(4-nitrophenoxy)phosphorylamino]propanoyl]pyrrolidine-2-carboxylate
IUPAC Name: tert-butyl (2S)-1-[(2R)-2-[bis(4-nitrophenoxy)phosphorylamino]propanoyl]pyrrolidine-2-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-1-[(2R)-2-[bis(4-nitrophenoxy)phosphorylamino]propanoyl]pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C24H29N4O10P
MOLECULAR WEIGHT: 564.481621
SMILES: C[C@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)NP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 97280-40-5
CAS Name: N-cyclohexylcyclohexanamine; (2S)-1-[(2R)-2-(diphenoxyphosphorylamino)-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: N-cyclohexylcyclohexanamine; (2S)-1-[(2R)-2-(diphenoxyphosphorylamino)propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-1-[(2R)-2-(diphenoxyphosphorylamino)propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; (2S)-1-[(2R)-2-(diphenoxyphosphorylamino)propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C32H46N3O6P
MOLECULAR WEIGHT: 599.697901
SMILES: C[C@H](C(=O)N1CCC[C@H]1C(=O)O)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.C1CCC(CC1)NC2CCCCC2
Structure:
CAS RN: 74317-45-6
CAS Name: N-(1-methyl-5H-pyrido[4,3-b]indol-3-yl)hydroxylamine
OPENEYE Name: N-(1-methyl-5H-pyrido[4,3-b]indol-3-yl)hydroxylamine
IUPAC Name: N-(1-methyl-5H-pyrido[4,3-b]indol-3-yl)hydroxylamine
SYSTEMATIC NAME: N-(1-methyl-5H-pyrido[4,3-b]indol-3-yl)hydroxylamine
MOLECULAR FORMULA: C12H11N3O
MOLECULAR WEIGHT: 213.23524
SMILES: CC1=C2C3=CC=CC=C3NC2=CC(=N1)NO
Structure:
CAS RN: 74149-70-5
CAS Name: (2Z,4S,5R)-N-[4-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]butyl]-N-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]propyl]-5-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-oxazolidinecarboxamide
OPENEYE Name: (2Z,4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-5-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)oxazolidine-4-carboxamide
IUPAC Name: (2Z,4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-5-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carboxamide
SYSTEMATIC NAME: (2Z,4S,5R)-N-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]-N-[3-[[2,3-bis(oxidanyl)phenyl]carbonylamino]propyl]-5-methyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carboxamide
MOLECULAR FORMULA: C32H36N4O9
MOLECULAR WEIGHT: 620.64964
SMILES: C[C@@H]1[C@H](N/C(=C/2\C=CC=CC2=O)/O1)C(=O)N(CCCCNC(=O)C3=C(C(=CC=C3)O)O)CCCNC(=O)C4=C(C(=CC=C4)O)O
Structure:
CAS RN: 72432-85-0
CAS Name: disodium sulfuric acid 2-[[(Z)-[7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(2-sulfooxyethylamino)methylidene]-2-naphthalenyl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-yl-1-naphthalenylidene]methyl]amino]ethyl ester
OPENEYE Name: disodium 2-[[(Z)-[7-[(8Z)-1,6-dihydroxy-5-isopropyl-3-methyl-7-oxo-8-[(2-sulfooxyethylamino)methylene]-2-naphthyl]-3,8-dihydroxy-4-isopropyl-6-methyl-2-oxo-1-naphthylidene]methyl]amino]ethyl hydrogen sulfate
IUPAC Name: disodium 2-[[(Z)-[7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(2-sulfooxyethylamino)methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl]amino]ethyl hydrogen sulfate
SYSTEMATIC NAME: disodium 2-[[(Z)-[6-methyl-7-[(8Z)-3-methyl-1,6-bis(oxidanyl)-7-oxidanylidene-5-propan-2-yl-8-[(2-sulfooxyethylamino)methylidene]naphthalen-2-yl]-3,8-bis(oxidanyl)-2-oxidanylidene-4-propan-2-yl-naphthalen-1-ylidene]methyl]amino]ethyl hydrogen sulfate
MOLECULAR FORMULA: C34H40N2Na2O14S2+2
MOLECULAR WEIGHT: 810.79594
SMILES: CC1=C(C(=C2/C(=C/NCCOS(=O)(=O)O)/C(=O)C(=C(C2=C1)C(C)C)O)O)C3=C(C=C4C(=C(C(=O)/C(=C\NCCOS(=O)(=O)O)/C4=C3O)O)C(C)C)C.[Na+].[Na+]
Structure:
CAS RN: 139163-16-9
CAS Name: 3,6,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enoxy)phenyl]-1-benzopyran-4-one
OPENEYE Name: 3,6,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enoxy)phenyl]chromen-4-one
IUPAC Name: 3,6,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enoxy)phenyl]chromen-4-one
SYSTEMATIC NAME: 2-[3-(3-methylbut-2-enoxy)-4-oxidanyl-phenyl]-3,6,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C20H18O7
MOLECULAR WEIGHT: 370.35272
SMILES: CC(=CCOC1=C(C=CC(=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)O)O)O)O)C
Structure:
CAS RN: 71417-57-7
CAS Name: (5S,6S)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-5,6-dihydrobenzo[c]xanthen-7-one
OPENEYE Name: (5S,6S)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxy-phenyl)-6-(hydroxymethyl)-5,6-dihydrobenzo[c]xanthen-7-one
IUPAC Name: (5S,6S)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-5,6-dihydrobenzo[c]xanthen-7-one
SYSTEMATIC NAME: (5S,6S)-6-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)-2,3,8,10-tetrakis(oxidanyl)-5,6-dihydrobenzo[c]xanthen-7-one
MOLECULAR FORMULA: C25H20O9
MOLECULAR WEIGHT: 464.4209
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@@H](C3=C(C4=CC(=C(C=C24)O)O)OC5=CC(=CC(=C5C3=O)O)O)CO)O
Structure:
CAS RN: 136577-07-6
CAS Name: (2R)-2-[(2R)-2-amino-1-oxopropoxy]propanoic acid
OPENEYE Name: (2R)-2-[(2R)-2-aminopropanoyl]oxypropanoic acid
IUPAC Name: (2R)-2-[(2R)-2-aminopropanoyl]oxypropanoic acid
SYSTEMATIC NAME: (2R)-2-[(2R)-2-azanylpropanoyl]oxypropanoic acid
MOLECULAR FORMULA: C6H11NO4
MOLECULAR WEIGHT: 161.15584
SMILES: C[C@H](C(=O)O[C@H](C)C(=O)O)N
Structure:
CAS RN: 135561-92-1
CAS Name: [4-(3,5-dimethyl-1-pyrazolyl)-5H-pyridazino[4,5-b]indol-1-yl]hydrazine
OPENEYE Name: [4-(3,5-dimethylpyrazol-1-yl)-5H-pyridazino[4,5-b]indol-1-yl]hydrazine
IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)-5H-pyridazino[4,5-b]indol-1-yl]hydrazine
SYSTEMATIC NAME: [4-(3,5-dimethylpyrazol-1-yl)-5H-pyridazino[4,5-b]indol-1-yl]diazane
MOLECULAR FORMULA: C15H15N7
MOLECULAR WEIGHT: 293.3265
SMILES: CC1=CC(=NN1C2=NN=C(C3=C2NC4=CC=CC=C43)NN)C
Structure:
CAS RN: 97068-31-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H22O10
MOLECULAR WEIGHT: 494.44688
SMILES: C[C@@H]1[C@@H]([C@]([C@H](C(O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)O)(C)O)O
Structure:
CAS RN: 96935-32-9
CAS Name: 1-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9-xanthenone
OPENEYE Name: 1-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthen-9-one
IUPAC Name: 1-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C19H18O9
MOLECULAR WEIGHT: 390.34082
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 96935-31-8
CAS Name: 1-hydroxy-7-[[3,4,5-trihydroxy-6-[[5-hydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanyl]oxymethyl]-2-oxanyl]oxy]-9-xanthenone
OPENEYE Name: 1-hydroxy-7-[3,4,5-trihydroxy-6-[[5-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-xanthen-9-one
IUPAC Name: 1-hydroxy-7-[3,4,5-trihydroxy-6-[[5-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
SYSTEMATIC NAME: 7-[6-[[5-(hydroxymethyl)-3-methyl-5-oxidanyl-oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C25H28O12
MOLECULAR WEIGHT: 520.48262
SMILES: CC1CC(OC1OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)OC5=C(C4=O)C(=CC=C5)O)O)O)O)(CO)O
Structure:
CAS RN: 96927-63-8
CAS Name: (4S)-5-[[(2S)-3-carboxy-1-[[2-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-[[[(2S)-1-[(2S)-4-methyl-1-oxo-2-[[(2S)-1-oxo-2-[[oxo-[(2S)-2-pyrro
OPENEYE Name: (4S)-5-[[(1S)-2-[[2-[[2-[[(1S)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-4-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-pyrrolidine-2-car
IUPAC Name: (4S)-5-[[(2S)-3-carboxy-1-[[2-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]am
SYSTEMATIC NAME: (4S)-5-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]a
MOLECULAR FORMULA: C44H64N10O17
MOLECULAR WEIGHT: 1005.03576
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)NC(=O)[C@@H]3CCCN3
Structure:
CAS RN: 96563-00-7
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxop
OPENEYE Name: (2S)-N-[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S,2R)-1-[[2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-1-methyl-2-oxo-et
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-ox
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl
MOLECULAR FORMULA: C51H69N13O11S
MOLECULAR WEIGHT: 1072.23906
SMILES: CCC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H]5CCC(=O)N5
Structure:
CAS RN: 96445-15-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H17NO5
MOLECULAR WEIGHT: 315.32058
SMILES: CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1C(=O)C5=C3C(=C(C=C5)O)O4)O
Structure:
CAS RN: 96445-14-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H21NO5
MOLECULAR WEIGHT: 355.38444
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2C(=O)C6=C4C(=C(C=C6)O)O5)O
Structure:
CAS RN: 96425-84-2
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C27H37N7O6
MOLECULAR WEIGHT: 555.62598
SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 134161-40-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H29NO2
MOLECULAR WEIGHT: 327.46046
SMILES: CO[C@@]12CCCC[C@@]13CCN([C@@H]2CC4=C3C(=CC=C4)O)CC5CC5
Structure:
CAS RN: 134161-39-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H31NO2
MOLECULAR WEIGHT: 341.48704
SMILES: COC1=CC=CC2=C1[C@@]34CCCC[C@]3([C@@H](C2)N(CC4)CC5CC5)OC
Structure:
CAS RN: 96287-38-6
CAS Name: 5-chloro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylic acid methyl ester
OPENEYE Name: methyl 5-chloro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b]chromene-1-carboxylate
IUPAC Name: methyl 5-chloro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b]chromene-1-carboxylate
SYSTEMATIC NAME: methyl 5-chloranyl-8-methyl-10-oxidanyl-3,11-bis(oxidanylidene)-1H-oxepino[4,3-b]chromene-1-carboxylate
MOLECULAR FORMULA: C16H11ClO7
MOLECULAR WEIGHT: 350.70734
SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(O2)C(=CC(=O)OC3C(=O)OC)Cl
Structure:
CAS RN: 148553-50-8
CAS Name: (3S)-3-(aminomethyl)-5-methylhexanoic acid
OPENEYE Name: (3S)-3-(aminomethyl)-5-methyl-hexanoic acid
IUPAC Name: (3S)-3-(aminomethyl)-5-methylhexanoic acid
SYSTEMATIC NAME: (3S)-3-(aminomethyl)-5-methyl-hexanoic acid
MOLECULAR FORMULA: C8H17NO2
MOLECULAR WEIGHT: 159.22608
SMILES: CC(C)C[C@@H](CC(=O)O)CN
Structure:
CAS RN: 69537-64-0
CAS Name: 2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]acetic acid
OPENEYE Name: 2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetic acid
IUPAC Name: 2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C14H19N3O5
MOLECULAR WEIGHT: 309.31776
SMILES: C[C@H](C(=O)NCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
Structure:
CAS RN: 95713-52-3
CAS Name: (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide
OPENEYE Name: (2S)-2-(5-fluoro-2,4-dinitro-anilino)propanamide
IUPAC Name: (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide
SYSTEMATIC NAME: (2S)-2-[(5-fluoranyl-2,4-dinitro-phenyl)amino]propanamide
MOLECULAR FORMULA: C9H9FN4O5
MOLECULAR WEIGHT: 272.189963
SMILES: C[C@@H](C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
Structure:
CAS RN: 68561-01-3
CAS Name: N-[2-[10,15,20-tris[2-(1-oxohexylamino)phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]hexanamide
OPENEYE Name: N-[2-[10,15,20-tris[2-(hexanoylamino)phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]hexanamide
IUPAC Name: N-[2-[10,15,20-tris[2-(hexanoylamino)phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]hexanamide
SYSTEMATIC NAME: N-[2-[10,15,20-tris[2-(hexanoylamino)phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]hexanamide
MOLECULAR FORMULA: C68H74N8O4
MOLECULAR WEIGHT: 1067.36636
SMILES: CCCCCC(=O)NC1=CC=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7NC(=O)CCCCC)C8=CC=CC=C8NC(=O)CCCCC)C9=CC=CC=C9NC(=O)CCCCC)N3
Structure:
CAS RN: 68385-50-2
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MOLECULAR FORMULA: C27H29N3O13S
MOLECULAR WEIGHT: 635.59646
SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@H]([C@@H](O[C@@H]5OC4=C1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O
Structure:
CAS RN: 95668-39-6
CAS Name: (4Z)-4-[(4,5-dihydro-1H-imidazol-2-ylhydrazo)methylidene]-3-methyl-1-cyclohexa-2,5-dienone hydrochloride
OPENEYE Name: (4Z)-4-[[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazino]methylene]-3-methyl-cyclohexa-2,5-dien-1-one hydrochloride
IUPAC Name: (4Z)-4-[[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazinyl]methylidene]-3-methylcyclohexa-2,5-dien-1-one hydrochloride
SYSTEMATIC NAME: (4Z)-4-[[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazinyl]methylidene]-3-methyl-cyclohexa-2,5-dien-1-one hydrochloride
MOLECULAR FORMULA: C11H15ClN4O
MOLECULAR WEIGHT: 254.716
SMILES: CC\1=CC(=O)C=C/C1=C/NNC2=NCCN2.Cl
Structure:
CAS RN: 67025-97-2
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MOLECULAR FORMULA: C20H26N2O3
MOLECULAR WEIGHT: 342.43204
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1N)OC5=C(C=C4)O)O
Structure:
CAS RN: 66880-80-6
CAS Name: (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4,5-dihydroxy-1-oxo-6-(1-oxo-2-tetradecylhexadecoxy)hexan-3-yl]oxy-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-5-oxopentanoic acid
OPENEYE Name: (4R)-4-[[(2S)-2-[[(2R)-2-[(1R,2R,3R)-1-[(1R)-1-acetamido-2-oxo-ethyl]-2,3-dihydroxy-4-(2-tetradecylhexadecanoyloxy)butoxy]propanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoic acid
IUPAC Name: (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4,5-dihydroxy-1-oxo-6-(2-tetradecylhexadecanoyloxy)hexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid
SYSTEMATIC NAME: (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4,5-bis(oxidanyl)-1-oxidanylidene-6-(2-tetradecylhexadecanoyloxy)hexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C49H90N4O12
MOLECULAR WEIGHT: 927.2585
SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)NC(=O)C)O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N)O)O
Structure:
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