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

C118H176N22O42S3 — CID 126611557

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

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-[[(2S)-1-[[(2R)-1-[2-[[[(2S,4R)-4-[[2-[(1R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-3-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[3-[2-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]ethoxy]propanoylamino]-5-oxopentanoic acid (PubChem CID 126611557) has the molecular formula C118H176N22O42S3 and a molecular weight of 2671.02 g/mol. Its IUPAC name is (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-[[(2S)-1-[[(2R)-1-[2-[[[(2S,4R)-4-[[2-[(1R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-3-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[3-[2-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]ethoxy]propanoylamino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-[[(2S)-1-[[(2R)-1-[2-[[[(2S,4R)-4-[[2-[(1R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-3-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[3-[2-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]ethoxy]propanoylamino]-5-oxopentanoic acid
• PubChem CID: 126611557
• Molecular Formula: C118H176N22O42S3
• Molecular Weight: 2671.02 g/mol
• Exact Mass: 2669.15
• IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-[[(2S)-1-[[(2R)-1-[2-[[[(2S,4R)-4-[[2-[(1R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-3-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[3-[2-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]ethoxy]propanoylamino]-5-oxopentanoic acid
• SMILES: CCCC(=O)OCN(CC[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](C=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CNC(=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)CCOCCNC(=O)c2cccc(NC(=O)N[C@@H]3CN(C4CCCCC4)c4ccccc4N(CC(=O)C(C)(C)C)C3=O)c2)cs1)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)C(C)CC
• InChI: InChI=1S/C118H176N22O42S3/c1-10-20-97(160)181-63-138(115(176)98(64(3)11-2)134-112(174)84-27-17-18-43-137(84)9)44-40-89(182-66(5)144)113-132-81(62-183-113)111(173)124-70(50-67-28-30-73(145)31-29-67)49-65(4)103(165)135-136-117(178)180-47-48-184-185-61-71(58-141)125-110(172)79(52-96(158)159)131-105(167)74(119)53-123-106(168)75(32-36-91(151)121-54-85(146)99(161)101(163)87(148)59-142)128-109(171)78(35-39-95(156)157)130-108(170)77(33-37-92(152)122-55-86(147)100(162)102(164)88(149)60-143)129-107(169)76(34-38-94(154)155)127-93(153)41-45-179-46-42-120-104(166)68-21-19-22-69(51-68)126-116(177)133-80-56-139(72-23-13-12-14-24-72)82-25-15-16-26-83(82)140(114(80)175)57-90(150)118(6,7)8/h15-16,19,21-22,25-26,28-31,51,58,62,64-65,70-72,74-80,84-89,98-102,142-143,145-149,161-164H,10-14,17-18,20,23-24,27,32-50,52-57,59-61,63,119H2,1-9H3,(H,120,166)(H,121,151)(H,122,152)(H,123,168)(H,124,173)(H,125,172)(H,127,153)(H,128,171)(H,129,169)(H,130,170)(H,131,167)(H,134,174)(H,135,165)(H,136,178)(H,154,155)(H,156,157)(H,158,159)(H2,126,133,177)/t64?,65-,70+,71+,74-,75-,76-,77-,78-,79-,80+,84+,85+,86+,87-,88-,89+,98-,99-,100-,101-,102-/m0/s1
• InChIKey: KHCMDVSEEWSOGS-YINVTRQWSA-N
• XLogP: -3.96
• TPSA: 974.17 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 46
• Rotatable Bonds: 80
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2671.02
LogP ≤ 5	-3.96
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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'}

Frequently Asked Questions

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

The IUPAC name of (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-[[(2S)-1-[[(2R)-1-[2-[[[(2S,4R)-4-[[2-[(1R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-3-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[3-[2-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]ethoxy]propanoylamino]-5-oxopentanoic acid (CID 126611557) is (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-[[(2S)-1-[[(2R)-1-[2-[[[(2S,4R)-4-[[2-[(1R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-3-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[3-[2-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]ethoxy]propanoylamino]-5-oxopentanoic acid.

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

The canonical SMILES for (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-[[(2S)-1-[[(2R)-1-[2-[[[(2S,4R)-4-[[2-[(1R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-3-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[3-[2-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]ethoxy]propanoylamino]-5-oxopentanoic acid is CCCC(=O)OCN(CC[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](C=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CNC(=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)CCOCCNC(=O)c2cccc(NC(=O)N[C@@H]3CN(C4CCCCC4)c4ccccc4N(CC(=O)C(C)(C)C)C3=O)c2)cs1)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)C(C)CC.

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

The InChIKey is KHCMDVSEEWSOGS-YINVTRQWSA-N. The full InChI is InChI=1S/C118H176N22O42S3/c1-10-20-97(160)181-63-138(115(176)98(64(3)11-2)134-112(174)84-27-17-18-43-137(84)9)44-40-89(182-66(5)144)113-132-81(62-183-113)111(173)124-70(50-67-28-30-73(145)31-29-67)49-65(4)103(165)135-136-117(178)180-47-48-184-185-61-71(58-141)125-110(172)79(52-96(158)159)131-105(167)74(119)53-123-106(168)75(32-36-91(151)121-54-85(146)99(161)101(163)87(148)59-142)128-109(171)78(35-39-95(156)157)130-108(170)77(33-37-92(152)122-55-86(147)100(162)102(164)88(149)60-143)129-107(169)76(34-38-94(154)155)127-93(153)41-45-179-46-42-120-104(166)68-21-19-22-69(51-68)126-116(177)133-80-56-139(72-23-13-12-14-24-72)82-25-15-16-26-83(82)140(114(80)175)57-90(150)118(6,7)8/h15-16,19,21-22,25-26,28-31,51,58,62,64-65,70-72,74-80,84-89,98-102,142-143,145-149,161-164H,10-14,17-18,20,23-24,27,32-50,52-57,59-61,63,119H2,1-9H3,(H,120,166)(H,121,151)(H,122,152)(H,123,168)(H,124,173)(H,125,172)(H,127,153)(H,128,171)(H,129,169)(H,130,170)(H,131,167)(H,134,174)(H,135,165)(H,136,178)(H,154,155)(H,156,157)(H,158,159)(H2,126,133,177)/t64?,65-,70+,71+,74-,75-,76-,77-,78-,79-,80+,84+,85+,86+,87-,88-,89+,98-,99-,100-,101-,102-/m0/s1.

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

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-[[(2S)-1-[[(2R)-1-[2-[[[(2S,4R)-4-[[2-[(1R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-3-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[3-[2-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]ethoxy]propanoylamino]-5-oxopentanoic acid has a molecular weight of 2671.02 g/mol, XLogP of -3.96, 80 rotatable bonds, 31 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-[[(2S)-1-[[(2R)-1-[2-[[[(2S,4R)-4-[[2-[(1R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-3-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-amino-3-oxopropyl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[3-[2-[[3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoyl]amino]ethoxy]propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 126611557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).