[4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate

C92H142N16O14S — CID 158889244

IUPAC[4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate
SMILESCCCCCCCCCCCCCCCCNC(=O)CN(CC)C(=O)CCCCCCC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCNC(N)N)CC(=O)C(CS)NC(=O)C(CCCNC(N)N)CC(=O)C1CCCN(C(=O)C(NC(=O)C(CC(=O)C(NC(=O)CCCOC=O)C(C)O)Cc2cnc[nH]2)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C92H142N16O14S/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-30-47-98-82(116)60-107(5-2)83(117)46-27-18-17-26-44-77(111)75(53-71-57-101-74-43-29-28-42-73(71)74)103-87(118)68(40-32-49-100-92(95)96)55-79(113)76(61-123)104-88(119)67(39-31-48-99-91(93)94)54-78(112)69-41-33-50-108(59-69)90(121)86(84(65-35-22-20-23-36-65)66-37-24-21-25-38-66)106-89(120)70(52-72-58-97-62-102-72)56-80(114)85(64(3)110)105-81(115)45-34-51-122-63-109/h20-25,28-29,35-38,42-43,57-58,62-64,67-70,75-76,84-86,91-92,99-101,110,123H,4-19,26-27,30-34,39-41,44-56,59-61,93-96H2,1-3H3,(H,97,102)(H,98,116)(H,103,118)(H,104,119)(H,105,115)(H,106,120)
InChIKeyJEAATSIDCJJYDS-UHFFFAOYSA-N
MW1728.31 g/mol
LogP8.17
Rot. Bonds67

About [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate

[4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate (PubChem CID 158889244) has the molecular formula C92H142N16O14S and a molecular weight of 1728.31 g/mol. Its IUPAC name is [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate.

Molecular Properties

Compound Name[4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate
PubChem CID158889244
Molecular FormulaC92H142N16O14S
Molecular Weight1728.31 g/mol
Exact Mass1727.06
IUPAC Name[4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate
SMILESCCCCCCCCCCCCCCCCNC(=O)CN(CC)C(=O)CCCCCCC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCNC(N)N)CC(=O)C(CS)NC(=O)C(CCCNC(N)N)CC(=O)C1CCCN(C(=O)C(NC(=O)C(CC(=O)C(NC(=O)CCCOC=O)C(C)O)Cc2cnc[nH]2)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C92H142N16O14S/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-30-47-98-82(116)60-107(5-2)83(117)46-27-18-17-26-44-77(111)75(53-71-57-101-74-43-29-28-42-73(71)74)103-87(118)68(40-32-49-100-92(95)96)55-79(113)76(61-123)104-88(119)67(39-31-48-99-91(93)94)54-78(112)69-41-33-50-108(59-69)90(121)86(84(65-35-22-20-23-36-65)66-37-24-21-25-38-66)106-89(120)70(52-72-58-97-62-102-72)56-80(114)85(64(3)110)105-81(115)45-34-51-122-63-109/h20-25,28-29,35-38,42-43,57-58,62-64,67-70,75-76,84-86,91-92,99-101,110,123H,4-19,26-27,30-34,39-41,44-56,59-61,93-96H2,1-3H3,(H,97,102)(H,98,116)(H,103,118)(H,104,119)(H,105,115)(H,106,120)
InChIKeyJEAATSIDCJJYDS-UHFFFAOYSA-N
XLogP8.17
TPSA473.54 Ų
H-Bond Donors15
H-Bond Acceptors22
Rotatable Bonds67
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001728.31
LogP ≤ 58.17
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate with MolForge

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Launch Full Analysis

Related Compounds

[4-[[7-[[1-[2-[7-(diaminomethylideneamino)-4-[[8-(diaminomethylideneamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-1-(methyldisulfanyl)-3-oxooctan-2-yl]carbamoyl]-2-oxoheptyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate
CID 147105550
2-[[2-[[1-[[1-[[1-[2-[2-[[1-[[1-[[1-[[1-[[6-[(2-amino-2-oxoethyl)-[2-(hexadecylamino)-2-oxoethyl]amino]-6-oxohexyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carbamimidamido-1-oxobutan-2-yl]amino]-3-ethylsulfanyl-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]acetic acid
CID 130380798
2-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-4-[[6-[(2-amino-2-oxoethyl)-[2-(hexadecylamino)-2-oxoethyl]amino]-6-oxohexyl]amino]-4-oxo-1-phenylbutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]acetic acid
CID 122192229
ditert-butyl (Z)-2-[(2R)-3-[[(2S)-1-[[(2S)-1-[[6-[(2-amino-2-oxoethyl)-[2-(hexadecylamino)-2-oxoethyl]amino]-6-oxohexyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-[[(2S)-5-carbamimidamido-2-[[2-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3,3-diphenylpropanoyl]pyrrolidin-2-yl]acetyl]amino]pentanoyl]amino]-3-oxopropyl]sulfanylbut-2-enedioate
CID 118725731
dimethyl (Z)-2-[(2R)-3-[[(2S)-1-[[(2S)-1-[[6-[(2-amino-2-oxoethyl)-[2-(hexadecylamino)-2-oxoethyl]amino]-6-oxohexyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-[[(2S)-5-carbamimidamido-2-[[2-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3,3-diphenylpropanoyl]pyrrolidin-2-yl]acetyl]amino]pentanoyl]amino]-3-oxopropyl]sulfanylbut-2-enedioate
CID 118725733
N-[(4R)-5-[[(2R,5R)-8-(diaminomethylideneamino)-5-[[(2S)-3-(1H-indol-3-yl)-1-(octylamino)-1-oxopropan-2-yl]carbamoyl]-3-oxo-1-phenyloctan-2-yl]amino]-4-(1H-imidazol-5-ylmethyl)-2,5-dioxopentyl]benzamide
CID 159669998
(4S)-5-[[(2R,3S,6R)-7-[[(2S)-1-[(2S)-2-[[(4S,7S,10S)-7-[(2S)-butan-2-yl]-4-[[(2S)-4-[[(2S)-1-[[(2R)-1,6-diamino-1-oxohexan-2-yl]amino]-6-[6-(hexadecanoylamino)hexanoylamino]-1-oxohexan-2-yl]amino]-4-oxo-1-phenylbutan-2-yl]carbamoyl]-6,9-dioxo-1,5,8,14,15-pentazabicyclo[10.3.0]pentadeca-12,14-dien-10-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-(3-methylbutanoylamino)-5-oxopentanoic acid
CID 170936688
(2S)-1-[(2R,5R)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidohexanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxo-6-phenylhexanoyl]-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 158115502
6-[[(2S)-1-amino-6-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-amino-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid
CID 171355291
6-[[(2R)-1-amino-6-[[(2R)-1-[[(2R,3R)-1-[[(2R)-1-[(2R)-2-[[(2R)-4-amino-1-[[(2R)-4-amino-1-[[(2R)-4-amino-1-[[(2R,3R)-1-[[(2R)-6-amino-1-[[(2R)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-amino-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid
CID 171356021
4-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[(1-carboxy-2-hydroxypropyl)amino]-5-oxopentanoic acid
CID 18499522
N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]hexadecanamide
CID 11629105

Frequently Asked Questions

What is the IUPAC name of [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate?
The IUPAC name of [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate (CID 158889244) is [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate.
What is the SMILES notation for [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate?
The canonical SMILES for [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate is CCCCCCCCCCCCCCCCNC(=O)CN(CC)C(=O)CCCCCCC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCNC(N)N)CC(=O)C(CS)NC(=O)C(CCCNC(N)N)CC(=O)C1CCCN(C(=O)C(NC(=O)C(CC(=O)C(NC(=O)CCCOC=O)C(C)O)Cc2cnc[nH]2)C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate?
The InChIKey is JEAATSIDCJJYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H142N16O14S/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-30-47-98-82(116)60-107(5-2)83(117)46-27-18-17-26-44-77(111)75(53-71-57-101-74-43-29-28-42-73(71)74)103-87(118)68(40-32-49-100-92(95)96)55-79(113)76(61-123)104-88(119)67(39-31-48-99-91(93)94)54-78(112)69-41-33-50-108(59-69)90(121)86(84(65-35-22-20-23-36-65)66-37-24-21-25-38-66)106-89(120)70(52-72-58-97-62-102-72)56-80(114)85(64(3)110)105-81(115)45-34-51-122-63-109/h20-25,28-29,35-38,42-43,57-58,62-64,67-70,75-76,84-86,91-92,99-101,110,123H,4-19,26-27,30-34,39-41,44-56,59-61,93-96H2,1-3H3,(H,97,102)(H,98,116)(H,103,118)(H,104,119)(H,105,115)(H,106,120).
What are the key properties of [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate?
[4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate has a molecular weight of 1728.31 g/mol, XLogP of 8.17, 67 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[7-[[1-[3-[6-(diaminomethylamino)-3-[[8-(diaminomethylamino)-5-[[10-[ethyl-[2-(hexadecylamino)-2-oxoethyl]amino]-1-(1H-indol-3-yl)-3,10-dioxodecan-2-yl]carbamoyl]-3-oxo-1-sulfanyloctan-2-yl]carbamoyl]hexanoyl]piperidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-hydroxy-6-(1H-imidazol-5-ylmethyl)-4,7-dioxoheptan-3-yl]amino]-4-oxobutyl] formate is sourced from PubChem (CID 158889244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).