tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate

C154H199N17O32S5 — CID 161388939

About tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate

tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate (PubChem CID 161388939) has the molecular formula C154H199N17O32S5 and a molecular weight of 2960.71 g/mol. Its IUPAC name is tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate
• PubChem CID: 161388939
• Molecular Formula: C154H199N17O32S5
• Molecular Weight: 2960.71 g/mol
• Exact Mass: 2958.31
• IUPAC Name: tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-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](CC2=CCc3ccccc32)NC(=O)[C@H](Cc2ccccc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O.C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC2=CCc3ccccc32)NC(=O)[C@H](Cc2ccccc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCOCCOCCOCCOCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
• InChI: InChI=1S/C86H110N8O17S3.C68H89N9O15S2/c1-58(96)72(55-95)91-82(104)74-57-114-113-56-73(92-80(102)70(52-61-27-13-7-14-28-61)88-76(99)40-42-107-43-44-108-45-46-109-47-48-110-49-50-112-86(65-30-15-8-16-31-65,66-32-17-9-18-33-66)67-34-19-10-20-35-67)75(98)54-64(51-60-25-11-6-12-26-60)78(100)90-71(53-63-39-38-62-29-21-22-36-68(62)63)81(103)89-69(79(101)94-77(59(2)97)83(105)93-74)37-23-24-41-87-84(106)111-85(3,4)5;1-40(79)53(37-78)73-65(89)55-39-94-93-38-54(74-63(87)51(33-43-18-10-7-11-19-43)71-60(84)46-25-23-44(24-26-46)36-77-57(82)29-30-58(77)83)56(81)35-48(32-42-16-8-6-9-17-42)61(85)72-52(34-47-28-27-45-20-12-13-21-49(45)47)64(88)70-50(62(86)76-59(41(2)80)66(90)75-55)22-14-15-31-69-67(91)92-68(3,4)5/h6-22,25-36,39,58-59,64,69-74,77,95-97H,23-24,37-38,40-57H2,1-5H3,(H,87,106)(H,88,99)(H,89,103)(H,90,100)(H,91,104)(H,92,102)(H,93,105)(H,94,101);6-13,16-21,28-30,40-41,44,46,48,50-55,59,78-80H,14-15,22-27,31-39H2,1-5H3,(H,69,91)(H,70,88)(H,71,84)(H,72,85)(H,73,89)(H,74,87)(H,75,90)(H,76,86)/t58-,59-,64-,69+,70-,71-,72-,73+,74+,77+;40-,41-,44?,46?,48-,50+,51-,52-,53-,54+,55+,59+/m11/s1
• InChIKey: VSSKAEJQVXHHCF-PWMSTKAHSA-N
• XLogP: 10.54
• TPSA: 713.88 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 37
• Rotatable Bonds: 60
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2960.71
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', '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,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate?

The IUPAC name of tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate (CID 161388939) is tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate?

The canonical SMILES for tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-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](CC2=CCc3ccccc32)NC(=O)[C@H](Cc2ccccc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O.C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC2=CCc3ccccc32)NC(=O)[C@H](Cc2ccccc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCOCCOCCOCCOCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)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,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate?

The InChIKey is VSSKAEJQVXHHCF-PWMSTKAHSA-N. The full InChI is InChI=1S/C86H110N8O17S3.C68H89N9O15S2/c1-58(96)72(55-95)91-82(104)74-57-114-113-56-73(92-80(102)70(52-61-27-13-7-14-28-61)88-76(99)40-42-107-43-44-108-45-46-109-47-48-110-49-50-112-86(65-30-15-8-16-31-65,66-32-17-9-18-33-66)67-34-19-10-20-35-67)75(98)54-64(51-60-25-11-6-12-26-60)78(100)90-71(53-63-39-38-62-29-21-22-36-68(62)63)81(103)89-69(79(101)94-77(59(2)97)83(105)93-74)37-23-24-41-87-84(106)111-85(3,4)5;1-40(79)53(37-78)73-65(89)55-39-94-93-38-54(74-63(87)51(33-43-18-10-7-11-19-43)71-60(84)46-25-23-44(24-26-46)36-77-57(82)29-30-58(77)83)56(81)35-48(32-42-16-8-6-9-17-42)61(85)72-52(34-47-28-27-45-20-12-13-21-49(45)47)64(88)70-50(62(86)76-59(41(2)80)66(90)75-55)22-14-15-31-69-67(91)92-68(3,4)5/h6-22,25-36,39,58-59,64,69-74,77,95-97H,23-24,37-38,40-57H2,1-5H3,(H,87,106)(H,88,99)(H,89,103)(H,90,100)(H,91,104)(H,92,102)(H,93,105)(H,94,101);6-13,16-21,28-30,40-41,44,46,48,50-55,59,78-80H,14-15,22-27,31-39H2,1-5H3,(H,69,91)(H,70,88)(H,71,84)(H,72,85)(H,73,89)(H,74,87)(H,75,90)(H,76,86)/t58-,59-,64-,69+,70-,71-,72-,73+,74+,77+;40-,41-,44?,46?,48-,50+,51-,52-,53-,54+,55+,59+/m11/s1.

What are the key properties of tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate?

tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate has a molecular weight of 2960.71 g/mol, XLogP of 10.54, 60 rotatable bonds, 22 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate;tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate is sourced from PubChem (CID 161388939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).