(4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid

C117H177N19O38S3 — CID 71721674

About (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid

(4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid (PubChem CID 71721674) has the molecular formula C117H177N19O38S3 and a molecular weight of 2554.00 g/mol. Its IUPAC name is (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid
• PubChem CID: 71721674
• Molecular Formula: C117H177N19O38S3
• Molecular Weight: 2554.00 g/mol
• Exact Mass: 2552.17
• IUPAC Name: (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid
• SMILES: CCCC(=O)OCN(C(=O)[C@@H](NC(=O)C1CCCCN1C)C(C)CC)[C@H](C[C@H](OC(C)=O)c1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)NNC(=O)OCCSSC[C@@H](NC(=O)[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCCCCCCNC(=O)c2cccc(NC(=O)N[C@@H]3CN(C4CCCCC4)c4ccccc4N(CC(=O)C(C)(C)C)C3=O)c2)C(=O)O)cs1)C(C)C
• InChI: InChI=1S/C117H177N19O38S3/c1-12-27-97(153)173-64-136(113(167)98(66(5)13-2)130-110(165)84-34-23-25-49-133(84)11)85(65(3)4)55-90(174-68(7)139)111-128-80(62-175-111)109(164)121-72(53-69-36-38-74(140)39-37-69)52-67(6)103(158)131-132-116(171)172-50-51-176-177-63-81(114(168)169)127-108(163)77(41-45-93(147)120-57-87(142)100(155)102(157)89(144)61-138)125-107(162)78(43-47-96(151)152)126-106(161)76(40-44-92(146)119-56-86(141)99(154)101(156)88(143)60-137)124-105(160)75(42-46-95(149)150)123-94(148)35-20-15-14-16-24-48-118-104(159)70-28-26-29-71(54-70)122-115(170)129-79-58-134(73-30-18-17-19-31-73)82-32-21-22-33-83(82)135(112(79)166)59-91(145)117(8,9)10/h21-22,26,28-29,32-33,36-39,54,62,65-67,72-73,75-79,81,84-90,98-102,137-138,140-144,154-157H,12-20,23-25,27,30-31,34-35,40-53,55-61,63-64H2,1-11H3,(H,118,159)(H,119,146)(H,120,147)(H,121,164)(H,123,148)(H,124,160)(H,125,162)(H,126,161)(H,127,163)(H,130,165)(H,131,158)(H,132,171)(H,149,150)(H,151,152)(H,168,169)(H2,122,129,170)/t66?,67-,72-,75+,76+,77+,78+,79+,81+,84?,85+,86-,87-,88+,89+,90-,98-,99+,100+,101+,102+/m0/s1
• InChIKey: ALKALQJTDUBSHG-DLJPCOOHSA-N
• XLogP: 1.48
• TPSA: 863.65 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 41
• Rotatable Bonds: 76
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2554.00
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid?

The IUPAC name of (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid (CID 71721674) is (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid.

What is the SMILES notation for (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid?

The canonical SMILES for (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid is CCCC(=O)OCN(C(=O)[C@@H](NC(=O)C1CCCCN1C)C(C)CC)[C@H](C[C@H](OC(C)=O)c1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)NNC(=O)OCCSSC[C@@H](NC(=O)[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCCCCCCNC(=O)c2cccc(NC(=O)N[C@@H]3CN(C4CCCCC4)c4ccccc4N(CC(=O)C(C)(C)C)C3=O)c2)C(=O)O)cs1)C(C)C.

What is the InChIKey of (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid?

The InChIKey is ALKALQJTDUBSHG-DLJPCOOHSA-N. The full InChI is InChI=1S/C117H177N19O38S3/c1-12-27-97(153)173-64-136(113(167)98(66(5)13-2)130-110(165)84-34-23-25-49-133(84)11)85(65(3)4)55-90(174-68(7)139)111-128-80(62-175-111)109(164)121-72(53-69-36-38-74(140)39-37-69)52-67(6)103(158)131-132-116(171)172-50-51-176-177-63-81(114(168)169)127-108(163)77(41-45-93(147)120-57-87(142)100(155)102(157)89(144)61-138)125-107(162)78(43-47-96(151)152)126-106(161)76(40-44-92(146)119-56-86(141)99(154)101(156)88(143)60-137)124-105(160)75(42-46-95(149)150)123-94(148)35-20-15-14-16-24-48-118-104(159)70-28-26-29-71(54-70)122-115(170)129-79-58-134(73-30-18-17-19-31-73)82-32-21-22-33-83(82)135(112(79)166)59-91(145)117(8,9)10/h21-22,26,28-29,32-33,36-39,54,62,65-67,72-73,75-79,81,84-90,98-102,137-138,140-144,154-157H,12-20,23-25,27,30-31,34-35,40-53,55-61,63-64H2,1-11H3,(H,118,159)(H,119,146)(H,120,147)(H,121,164)(H,123,148)(H,124,160)(H,125,162)(H,126,161)(H,127,163)(H,130,165)(H,131,158)(H,132,171)(H,149,150)(H,151,152)(H,168,169)(H2,122,129,170)/t66?,67-,72-,75+,76+,77+,78+,79+,81+,84?,85+,86-,87-,88+,89+,90-,98-,99+,100+,101+,102+/m0/s1.

What are the key properties of (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid?

(4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid has a molecular weight of 2554.00 g/mol, XLogP of 1.48, 76 rotatable bonds, 28 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1S)-2-[2-[[[(2S,4S)-4-[[2-[(1S,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[8-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]octanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 71721674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).