tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate

C142H183N23O29S5 — CID 126759390

About tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate

tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate (PubChem CID 126759390) has the molecular formula C142H183N23O29S5 and a molecular weight of 2836.49 g/mol. Its IUPAC name is tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate
• PubChem CID: 126759390
• Molecular Formula: C142H183N23O29S5
• Molecular Weight: 2836.49 g/mol
• Exact Mass: 2834.22
• IUPAC Name: tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate
• SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCC(=O)NCCNC(=O)[C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)CCCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC2=O)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
• InChI: InChI=1S/C142H183N23O29S5/c1-85(168)110(78-166)158-134(187)115-83-198-196-81-113(132(185)154-106(72-91-46-22-13-23-47-91)128(181)156-108(74-93-76-147-100-58-34-32-56-98(93)100)130(183)152-102(124(177)164-121(87(3)170)136(189)162-115)60-36-38-66-145-138(191)193-140(5,6)7)160-126(179)104(70-89-42-18-11-19-43-89)149-118(173)63-40-62-117(172)143-68-69-144-123(176)112(80-195-142(95-50-26-15-27-51-95,96-52-28-16-29-53-96)97-54-30-17-31-55-97)151-120(175)65-41-64-119(174)150-105(71-90-44-20-12-21-45-90)127(180)161-114-82-197-199-84-116(135(188)159-111(79-167)86(2)169)163-137(190)122(88(4)171)165-125(178)103(61-37-39-67-146-139(192)194-141(8,9)10)153-131(184)109(75-94-77-148-101-59-35-33-57-99(94)101)157-129(182)107(155-133(114)186)73-92-48-24-14-25-49-92/h11-35,42-59,76-77,85-88,102-116,121-122,147-148,166-171H,36-41,60-75,78-84H2,1-10H3,(H,143,172)(H,144,176)(H,145,191)(H,146,192)(H,149,173)(H,150,174)(H,151,175)(H,152,183)(H,153,184)(H,154,185)(H,155,186)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,179)(H,161,180)(H,162,189)(H,163,190)(H,164,177)(H,165,178)/t85-,86-,87-,88-,102+,103+,104-,105-,106+,107+,108-,109-,110-,111-,112+,113+,114+,115+,116+,121+,122+/m1/s1
• InChIKey: WKNPNZZDPZRCCS-BYMYGSSXSA-N
• XLogP: 5.63
• TPSA: 782.52 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 34
• Rotatable Bonds: 57
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2836.49
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate?

The IUPAC name of tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate (CID 126759390) is tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate?

The canonical SMILES for tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate is C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCC(=O)NCCNC(=O)[C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)CCCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC2=O)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O.

What is the InChIKey of tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate?

The InChIKey is WKNPNZZDPZRCCS-BYMYGSSXSA-N. The full InChI is InChI=1S/C142H183N23O29S5/c1-85(168)110(78-166)158-134(187)115-83-198-196-81-113(132(185)154-106(72-91-46-22-13-23-47-91)128(181)156-108(74-93-76-147-100-58-34-32-56-98(93)100)130(183)152-102(124(177)164-121(87(3)170)136(189)162-115)60-36-38-66-145-138(191)193-140(5,6)7)160-126(179)104(70-89-42-18-11-19-43-89)149-118(173)63-40-62-117(172)143-68-69-144-123(176)112(80-195-142(95-50-26-15-27-51-95,96-52-28-16-29-53-96)97-54-30-17-31-55-97)151-120(175)65-41-64-119(174)150-105(71-90-44-20-12-21-45-90)127(180)161-114-82-197-199-84-116(135(188)159-111(79-167)86(2)169)163-137(190)122(88(4)171)165-125(178)103(61-37-39-67-146-139(192)194-141(8,9)10)153-131(184)109(75-94-77-148-101-59-35-33-57-99(94)101)157-129(182)107(155-133(114)186)73-92-48-24-14-25-49-92/h11-35,42-59,76-77,85-88,102-116,121-122,147-148,166-171H,36-41,60-75,78-84H2,1-10H3,(H,143,172)(H,144,176)(H,145,191)(H,146,192)(H,149,173)(H,150,174)(H,151,175)(H,152,183)(H,153,184)(H,154,185)(H,155,186)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,179)(H,161,180)(H,162,189)(H,163,190)(H,164,177)(H,165,178)/t85-,86-,87-,88-,102+,103+,104-,105-,106+,107+,108-,109-,110-,111-,112+,113+,114+,115+,116+,121+,122+/m1/s1.

What are the key properties of tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate?

tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate has a molecular weight of 2836.49 g/mol, XLogP of 5.63, 57 rotatable bonds, 29 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[(4R,7S,10S,13R,16S,19R)-16-benzyl-19-[[(2R)-2-[[5-[[(2R)-1-[2-[[5-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate is sourced from PubChem (CID 126759390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).