(2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid

C74H109N12O15S4+ — CID 159912540

IUPAC(2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid
SMILESCCC[N+]1=C(C=CC=CC=CC=C2N(CCCS(=O)(=O)O)c3ccc(CN(C)CCCC(=O)CCCCSSC[C@H](CC(=O)CCCNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)CN)C(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21
InChIInChI=1S/C74H108N12O15S4/c1-7-37-82-60-34-32-55(105(99,100)101)47-57(60)74(4,5)64(82)29-11-9-8-10-12-30-65-73(2,3)56-45-51(31-33-59(56)83(65)42-21-44-104(96,97)98)49-81(6)38-17-24-53(87)22-13-14-43-102-103-50-52(71(94)95)46-54(88)23-15-35-78-67(90)61-26-19-40-85(61)70(93)63-28-20-41-86(63)69(92)58(25-16-36-79-72(76)77)80-68(91)62-27-18-39-84(62)66(89)48-75/h8-12,29-34,45,47,52,58,61-63H,7,13-28,35-44,46,48-50,75H2,1-6H3,(H8-,76,77,78,79,80,90,91,94,95,96,97,98,99,100,101)/p+1/t52-,58-,61-,62-,63-/m0/s1
InChIKeyPVZKWIPFZPAIQR-AINGIZAPSA-O
MW1535.02 g/mol
LogP6.71
Rot. Bonds42

About (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid

(2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid (PubChem CID 159912540) has the molecular formula C74H109N12O15S4+ and a molecular weight of 1535.02 g/mol. Its IUPAC name is (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid.

Molecular Properties

Compound Name(2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid
PubChem CID159912540
Molecular FormulaC74H109N12O15S4+
Molecular Weight1535.02 g/mol
Exact Mass1533.70
IUPAC Name(2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid
SMILESCCC[N+]1=C(C=CC=CC=CC=C2N(CCCS(=O)(=O)O)c3ccc(CN(C)CCCC(=O)CCCCSSC[C@H](CC(=O)CCCNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)CN)C(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21
InChIInChI=1S/C74H108N12O15S4/c1-7-37-82-60-34-32-55(105(99,100)101)47-57(60)74(4,5)64(82)29-11-9-8-10-12-30-65-73(2,3)56-45-51(31-33-59(56)83(65)42-21-44-104(96,97)98)49-81(6)38-17-24-53(87)22-13-14-43-102-103-50-52(71(94)95)46-54(88)23-15-35-78-67(90)61-26-19-40-85(61)70(93)63-28-20-41-86(63)69(92)58(25-16-36-79-72(76)77)80-68(91)62-27-18-39-84(62)66(89)48-75/h8-12,29-34,45,47,52,58,61-63H,7,13-28,35-44,46,48-50,75H2,1-6H3,(H8-,76,77,78,79,80,90,91,94,95,96,97,98,99,100,101)/p+1/t52-,58-,61-,62-,63-/m0/s1
InChIKeyPVZKWIPFZPAIQR-AINGIZAPSA-O
XLogP6.71
TPSA399.22 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001535.02
LogP ≤ 56.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid with MolForge

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Related Compounds

(2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-oxo-6-(propylamino)hexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid
CID 158408796
(2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid
CID 157209093
3-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-oxo-6-(propylamino)hexyl]amino]-4-oxobutyl]-methylamino]methyl]-2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;3-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate
CID 158408795
4-[2-[5-[1-[6-[2-[2-[2-[[N'-[(4S)-4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-[(2S)-2-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonate
CID 176732251
3-[2-[5-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-5-[[methyl-[4-oxo-4-[(4-sulfamoylphenyl)methylamino]butyl]amino]methyl]indol-1-yl]propane-1-sulfonate;sulfur trioxide
CID 159955541
3-[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-5-[[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-methylamino]methyl]-3,3-dimethylindol-1-yl]propane-1-sulfonate;sulfur trioxide
CID 123299123
(2S)-2-[4-[[(2S)-1-[(2S)-1-[(2S)-2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoylamino]-6-[4-[methyl(methylsulfonyl)amino]butanoylamino]hexanoic acid
CID 59546564
(2S)-14-[[(4S,7R)-7-carboxy-1-(diaminomethylideneamino)-8-[4-[(6E)-2-[(E)-2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]-6-[(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]oxyphenyl]-5-oxooctan-4-yl]amino]-2-(3-carboxypropylcarbamoylamino)-5,14-dioxotetradecanoic acid
CID 157197369
3-[2-[5-[1-butyl-5-[[4-hydroxypent-4-enyl(methyl)amino]methyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonic acid
CID 157236759
6-[2-[(1E,3E,5E,7Z)-7-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoic acid
CID 126455180
(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-5-[methyl-[4-oxo-4-[(4-sulfamoylphenyl)methylamino]butyl]sulfamoyl]-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid
CID 89286843
1-(5-carboxypentyl)-2-[(1E,3E,5Z)-5-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate
CID 137239707

Frequently Asked Questions

What is the IUPAC name of (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid?
The IUPAC name of (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid (CID 159912540) is (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid.
What is the SMILES notation for (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid?
The canonical SMILES for (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid is CCC[N+]1=C(C=CC=CC=CC=C2N(CCCS(=O)(=O)O)c3ccc(CN(C)CCCC(=O)CCCCSSC[C@H](CC(=O)CCCNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)CN)C(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21.
What is the InChIKey of (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid?
The InChIKey is PVZKWIPFZPAIQR-AINGIZAPSA-O. The full InChI is InChI=1S/C74H108N12O15S4/c1-7-37-82-60-34-32-55(105(99,100)101)47-57(60)74(4,5)64(82)29-11-9-8-10-12-30-65-73(2,3)56-45-51(31-33-59(56)83(65)42-21-44-104(96,97)98)49-81(6)38-17-24-53(87)22-13-14-43-102-103-50-52(71(94)95)46-54(88)23-15-35-78-67(90)61-26-19-40-85(61)70(93)63-28-20-41-86(63)69(92)58(25-16-36-79-72(76)77)80-68(91)62-27-18-39-84(62)66(89)48-75/h8-12,29-34,45,47,52,58,61-63H,7,13-28,35-44,46,48-50,75H2,1-6H3,(H8-,76,77,78,79,80,90,91,94,95,96,97,98,99,100,101)/p+1/t52-,58-,61-,62-,63-/m0/s1.
What are the key properties of (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid?
(2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid has a molecular weight of 1535.02 g/mol, XLogP of 6.71, 42 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-2-[[[8-[[2-[7-(3,3-dimethyl-1-propyl-5-sulfoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indol-5-yl]methyl-methylamino]-5-oxooctyl]disulfanyl]methyl]-4-oxoheptanoic acid is sourced from PubChem (CID 159912540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).