CAS RN: 158681-12-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C63H43N7O25
MOLECULAR WEIGHT: 1298.04742
SMILES: C1=CC(=CC=C1C(=O)C(=O)O)C(=O)NC(C2=CC=C(C=C2)C(=O)NC(C3=CC=C(C=C3)C(=O)N)(C(=O)O)NC(=O)C4=CC=C(C=C4)C(C(=O)O)(NC(=O)C5=CC=C(C=C5)C(=O)C(=O)O)NC(=O)C6=CC=C(C=C6)C(=O)C(=O)O)(C(=O)O)NC(=O)C7=CC=C(C=C7)C(=O)C(=O)O
Structure:
CAS RN: 115383-22-7
CAS Name: (C\{70}-D\{5h(6)})[5,6]fullerene
OPENEYE Name: [70-D\{5h}]fullerene
IUPAC Name: (C\{70}-D\{5h(6)})[5,6]fullerene
SYSTEMATIC NAME: (C\{70}-D\{5h(6)})[5,6]fullerene
MOLECULAR FORMULA: C70
MOLECULAR WEIGHT: 840.749
SMILES: C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27
Structure:
CAS RN: 61036-62-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C88H97Cl2N9O33
MOLECULAR WEIGHT: 1879.65828
SMILES: CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1)O)OC1=C(C=CC(=C1)[C@H](C(=O)N[C@H](CC1=CC(=C(O3)C=C1)Cl)C(=O)N9)N)O)O)O[C
Structure:
CAS RN: 170713-75-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C79H129N27O22
MOLECULAR WEIGHT: 1809.03726
SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC1=C
Structure:
CAS RN: 171778-43-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C79H129N27O22
MOLECULAR WEIGHT: 1809.03726
SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC1=C
Structure:
CAS RN: 386264-39-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C78H125N23O23S2
MOLECULAR WEIGHT: 1817.0974
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O
Structure:
CAS RN: 269062-93-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C90H132Cl5N27O12
MOLECULAR WEIGHT: 1961.44978
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@
Structure:
CAS RN: 626233-83-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C90H132Cl5N27O12
MOLECULAR WEIGHT: 1961.44978
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@
Structure:
CAS RN: 204248-78-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C90H127N27O12
MOLECULAR WEIGHT: 1779.14508
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@
Structure:
CAS RN: 58298-92-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C122H172N22O40
MOLECULAR WEIGHT: 2586.79448
SMILES: CCC(C)CCCCC(=O)NC(CCNCNC(=O)C1=C(C(C2C(C3C(=C(C2(C1=O)O)O)C(=O)C4=C(C3(C)O)C=CC=C4O)O)N(C)C)O)C(=O)NC(C(C)O)C(=O)NC(CCNCNC(=O)C5=C(C(C6C(C7C(=C(C6(C5=O)O)O)C(=O)C8=C(C7(C)O)C=CC=C8O)O)N(C)C)O)C(=O)NCCC9C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)
Structure:
CAS RN: 21704-44-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C3H9N2O3PS
MOLECULAR WEIGHT: 184.153921
SMILES: CCSC(=N)N.OP(=O)=O
Structure:
CAS RN: 19659-41-7
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-methyl-1-oxo-1-[[(2R)-1-oxo-1-[(2S)-2-[oxo-[[(2S)-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]amino]methyl]-1-pyrrolidinyl]-3-phenylpropan-2-yl]amino]pent-4-en-2-yl]amino]-1-oxopent
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1R)-1-benzyl-2-[(2S)-2-[[(1S)-1-benzyl-2-[[(1R)-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-methyl-but-3-enyl]carbamoyl]butyl]carbamoyl]-2-methyl-propyl]a
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-methyl-1-oxo-1-[[(2R)-1-oxo-1-[(2S)-2-[[(2S)-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]amino]pent-4-en-2-yl]amino]-1-oxopentan-2-yl]
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenyl-propan-2-yl]a
MOLECULAR FORMULA: C66H87N13O12
MOLECULAR WEIGHT: 1254.47688
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=C)C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC4=CC=CC=C4)C=O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N
Structure:
CAS RN: 1481-70-5
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-methyl-1-oxo-1-[[(2R)-1-oxo-1-[(2S)-2-[oxo-[[(2S)-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]amino]methyl]-1-pyrrolidinyl]-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1R)-1-benzyl-2-[(2S)-2-[[(1S)-1-benzyl-2-[[(1R)-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]butyl]carbamoyl]-2-methyl-allyl]amino]-
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-methyl-1-oxo-1-[[(2R)-1-oxo-1-[(2S)-2-[[(2S)-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]ami
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenyl-propan-2-yl]a
MOLECULAR FORMULA: C66H87N13O13
MOLECULAR WEIGHT: 1270.47628
SMILES: CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC4=CC=CC=C4)C=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(=C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N
Structure:
CAS RN: 73957-87-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C89H101Cl2N9O36
MOLECULAR WEIGHT: 1943.69894
SMILES: CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C7C(=O)NC(C8=CC(=CC(=C8C9=C(C=CC(=C9)C(C(=O)N7)NC(=O)C5NC(=O)C(NC(=O)C(C(C1=CC=C(O4)C=C1)OC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(C1=CC=C(C=C1)OC1C(C(C(C(O1)C)O)O)O)NC)C1=CC(=C(C=C1)O)Cl)O)O)O)C(=O)O)OC1CC(C(C
Structure:
CAS RN: 7528-97-4
CAS Name: phosphorous acid [3-diphenoxyphosphinooxy-2,2-bis(diphenoxyphosphinooxymethyl)propyl] diphenyl ester
OPENEYE Name: [3-diphenoxyphosphanyloxy-2,2-bis(diphenoxyphosphanyloxymethyl)propyl] diphenyl phosphite
IUPAC Name: [3-diphenoxyphosphanyloxy-2,2-bis(diphenoxyphosphanyloxymethyl)propyl] diphenyl phosphite
SYSTEMATIC NAME: [3-diphenoxyphosphanyloxy-2,2-bis(diphenoxyphosphanyloxymethyl)propyl] diphenyl phosphite
MOLECULAR FORMULA: C53H48O12P4
MOLECULAR WEIGHT: 1000.836064
SMILES: C1=CC=C(C=C1)OP(OCC(COP(OC2=CC=CC=C2)OC3=CC=CC=C3)(COP(OC4=CC=CC=C4)OC5=CC=CC=C5)COP(OC6=CC=CC=C6)OC7=CC=CC=C7)OC8=CC=CC=C8
Structure:
CAS RN: 330936-69-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C119H204N34O32S2
MOLECULAR WEIGHT: 2687.23166
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC
Structure:
CAS RN: 170157-13-8
CAS Name: (2S)-N-[(2R,4S,7R)-7-acetamido-4-[[[(2S)-3-(4-acetamidophenyl)-2-amino-1-oxopropyl]-[(2S)-2-[[(2R)-3-(4-acetamidophenyl)-2-amino-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-oxomethyl]-2-amino-1-(4-chlorophenyl)-8-(2-naphthalenyl)-3,6-dioxooctan-4-yl]-1
OPENEYE Name: (2S)-N-[(1S,4R)-4-acetamido-1-[[(2S)-3-(4-acetamidophenyl)-2-amino-propanoyl]-[(2S)-2-[[(2R)-3-(4-acetamidophenyl)-2-amino-propanoyl]amino]-4-methyl-pentanoyl]carbamoyl]-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-5-(2-naphthyl)-3-oxo-pentyl]-1-[(2S)-2-a
IUPAC Name: (2S)-N-[(2R,4S,7R)-7-acetamido-4-[[(2S)-3-(4-acetamidophenyl)-2-aminopropanoyl]-[(2S)-2-[[(2R)-3-(4-acetamidophenyl)-2-aminopropanoyl]amino]-4-methylpentanoyl]carbamoyl]-2-amino-1-(4-chlorophenyl)-8-naphthalen-2-yl-3,6-dioxooctan-4-yl]-1-[(2S)-2-amino-6-(
SYSTEMATIC NAME: (2S)-N-[(2R,4S,7R)-7-acetamido-4-[[(2S)-3-(4-acetamidophenyl)-2-azanyl-propanoyl]-[(2S)-2-[[(2R)-3-(4-acetamidophenyl)-2-azanyl-propanoyl]amino]-4-methyl-pentanoyl]carbamoyl]-2-azanyl-1-(4-chlorophenyl)-8-naphthalen-2-yl-3,6-bis(oxidanylidene)octan-4-yl]-
MOLECULAR FORMULA: C80H102ClN15O14
MOLECULAR WEIGHT: 1533.21098
SMILES: CC(C)C[C@@H](C(=O)N(C(=O)[C@H](CC1=CC=C(C=C1)NC(=O)C)N)C(=O)[C@](CC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)C)(C(=O)[C@@H](CC4=CC=C(C=C4)Cl)N)N(C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCNC(C)C)N)C(=O)[C@H](CO)NC(=O)[C@@H](CC6=CN=CC=C6)N)NC(=O)[C@@H](CC7=CC=C(C=C7)NC(=
Structure:
CAS RN: 156409-45-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C205H322N60O48S6
MOLECULAR WEIGHT: 4587.51338
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)
Structure:
CAS RN: 155683-51-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C70H60ClN9O16
MOLECULAR WEIGHT: 1318.7291
SMILES: C1[C@H]2C(=O)N[C@H](C3=CC(=C(C=C3)O)OC4=C(C=C(C=C4)[C@H](C(=O)N2)NC(=O)[C@H]5C6=CC(=C(C(=C6)C7=CC8=C(C=C7)C(=CN8)C[C@H](C(=O)N[C@@H](C(=O)N5)C9=CC(=CC(=C9)O)O)NC(=O)[C@@H](CC2=CC=C(C=C2)O)NC(=O)NCCC2=CC=CC=C2)O)OC2=CC=C1C=C2)Cl)C(=O)O
Structure:
CAS RN: 155683-50-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C61H51ClN8O15
MOLECULAR WEIGHT: 1171.55524
SMILES: C1[C@H]2C(=O)N[C@H](C3=CC(=C(C=C3)O)OC4=C(C=C(C=C4)[C@H](C(=O)N2)NC(=O)[C@H]5C6=CC(=C(C(=C6)C7=CC8=C(C=C7)C(=CN8)C[C@H](C(=O)N[C@@H](C(=O)N5)C9=CC(=CC(=C9)O)O)NC(=O)[C@@H](CC2=CC=C(C=C2)O)N)O)OC2=CC=C1C=C2)Cl)C(=O)O
Structure:
CAS RN: 154524-53-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H34O29
MOLECULAR WEIGHT: 1086.77686
SMILES: C1C(C(OC2=C3C4C5C(OC(=O)C6=CC(=C(C(=C6C7=C(C4(C(=O)OC7(C(=O)O)O)OC3=CC(=C21)O)C(=O)O5)O)O)O)C8C(COC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
Structure:
CAS RN: 143780-69-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C144H243N37O38
MOLECULAR WEIGHT: 3100.69532
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[
Structure:
CAS RN: 142449-89-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H42O12
MOLECULAR WEIGHT: 906.92548
SMILES: C1=CC(=CC=C1[C@@H]2[C@H](C3=CC(=CC4=C3[C@@H]([C@H](O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C26)O)O)O)C7=C(C=CC(=C7)/C=C/C8=CC(=CC9=C8[C@@H]([C@H](O9)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O)O
Structure:
CAS RN: 141472-16-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C101H150N32O29
MOLECULAR WEIGHT: 2276.4687
SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[
Structure:
CAS RN: 139643-82-6
CAS Name:
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IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C117H179N25O34
MOLECULAR WEIGHT: 2479.82026
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC
Structure:
CAS RN: 139468-40-9
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OPENEYE Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C78H97N13O15S2
MOLECULAR WEIGHT: 1520.81288
SMILES: CCOC1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N3CCC[C@H]3C(=O)NC(=O)CNC(=O)[C@H](CCCCNC(=O)C4=CC(=C(C=C4)C(=O)[O-])C5=C6C=CC(=CC6=[O+]C7=C5C=CC(=C7)N(C)C)N(C)C)N)NC(=O)CC8(CCC=CC8)S
Structure:
CAS RN: 139390-86-6
CAS Name: 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-8-[6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-6-yl]-8-[6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-yl]chromane-3,5,7-triol
IUPAC Name: 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-8-[6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-c
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-4-[2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-6-yl]-8-[6-[2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chrome
MOLECULAR FORMULA: C60H50O23
MOLECULAR WEIGHT: 1139.0252
SMILES: C1C(C(OC2=CC(=C(C(=C21)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=C(C(=C56)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)O)C1=CC=C(C=C1)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O
Structure:
CAS RN: 138111-66-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C80H104ClN21O14
MOLECULAR WEIGHT: 1619.26706
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)[C@@H](CC2=CC=C(C=C2)Cl)N)[C@@](C)(C(=O)[C@@H](CC3=CC4=CC=CC=C4N=C3)NC(=O)C)C(=O)N(C(=O)[C@H](CC5CCC(CC5)NC(=O)C6=NC=CN=C6)N)C(=O)[C@H](CO)NC(=O)[C@@H](CC7=CN=CC=C7)N)NC(=O)[C@@H](CCCCNC(=O)
Structure:
CAS RN: 137908-73-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C92H149N25O26S2
MOLECULAR WEIGHT: 2085.44936
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC
Structure:
CAS RN: 124883-37-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H48N16O15S4
MOLECULAR WEIGHT: 1265.29572
SMILES: CC1C2=NC(=CS2)C(=O)NC(=C)C(=O)NC(=C)C3=NC(=CO3)C4=C(C=CC(=N4)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)C5=NC(=CS5)C(=O)NC(C(=O)NC(C6=NC(=CO6)C(=O)NCC7=NC(=CS7)C(=O)N1)CSC)C(C)O
Structure:
CAS RN: 74754-47-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C73H103N17O26
MOLECULAR WEIGHT: 1634.69722
SMILES: CCC(C)CCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)
Structure:
CAS RN: 73412-13-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C66H62N8O21
MOLECULAR WEIGHT: 1303.23948
SMILES: C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=CC(=CC(=C4C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=CC=C2C=C8)O)OC9=CC=C(C=C9)[C@H]([C@@H]1C(=O)N[C@@H](C2=CC(=C(C(=C2)O)C)OC2=C(C=CC(=C2)[C@H](C(=O)N1)N)O)C(=O)N6)O)O)O)O)C(=O)
Structure:
CAS RN: 73299-58-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C66H62N8O21
MOLECULAR WEIGHT: 1303.23948
SMILES: C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=CC(=CC(=C4C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=CC=C2C=C8)O)OC9=CC=C(C=C9)[C@H]([C@@H]1C(=O)N[C@@H](C2=CC(=C(C(=C2)O)C)OC2=C(C=CC(=C2)[C@H](C(=O)N1)N)O)C(=O)N6)O)O)O)O)C(=O)
Structure:
CAS RN: 74709-65-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C66H62N8O21
MOLECULAR WEIGHT: 1303.23948
SMILES: C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=CC(=CC(=C4C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=CC=C2C=C8)O)OC9=CC=C(C=C9)[C@H]([C@@H]1C(=O)N[C@@H](C2=CC(=C(C(=C2)O)C)OC2=C(C=CC(=C2)[C@H](C(=O)N1)N)O)C(=O)N6)O)O)O)O)C(=O)
Structure:
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