tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid

C136H171N17O31S5 — CID 162115156

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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid

tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid (PubChem CID 162115156) has the molecular formula C136H171N17O31S5 and a molecular weight of 2700.29 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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid.

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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid
• PubChem CID: 162115156
• Molecular Formula: C136H171N17O31S5
• Molecular Weight: 2700.29 g/mol
• Exact Mass: 2698.09
• 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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid
• 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)CN2C(=O)C=CC2=O)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O.C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC2=CCc3ccccc32)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O
• InChI: InChI=1S/C74H92N8O16S3.C62H79N9O15S2/c1-44(83)61-68(92)79-59(67(91)82-62(45(2)84)69(93)94)43-101-100-42-57(78-66(90)58(80-71(96)98-73(6,7)8)41-99-74(50-23-12-9-13-24-50,51-25-14-10-15-26-51)52-27-16-11-17-28-52)60(86)40-49(38-46-31-35-53(85)36-32-46)63(87)77-56(39-48-34-33-47-22-18-19-29-54(47)48)65(89)76-55(64(88)81-61)30-20-21-37-75-70(95)97-72(3,4)5;1-36(73)47(33-72)67-59(83)49-35-88-87-34-48(68-57(81)45(29-39-18-10-7-11-19-39)64-51(76)32-71-52(77)25-26-53(71)78)50(75)31-42(28-38-16-8-6-9-17-38)55(79)66-46(30-41-24-23-40-20-12-13-21-43(40)41)58(82)65-44(56(80)70-54(37(2)74)60(84)69-49)22-14-15-27-63-61(85)86-62(3,4)5/h9-19,22-29,31-32,34-36,44-45,49,55-59,61-62,83-85H,20-21,30,33,37-43H2,1-8H3,(H,75,95)(H,76,89)(H,77,87)(H,78,90)(H,79,92)(H,80,96)(H,81,88)(H,82,91)(H,93,94);6-13,16-21,24-26,36-37,42,44-49,54,72-74H,14-15,22-23,27-35H2,1-5H3,(H,63,85)(H,64,76)(H,65,82)(H,66,79)(H,67,83)(H,68,81)(H,69,84)(H,70,80)/t44-,45-,49-,55+,56-,57+,58-,59+,61+,62+;36-,37-,42-,44+,45-,46-,47-,48+,49+,54+/m11/s1
• InChIKey: ZGRAVWDKDPXPDY-KVPBKVSUSA-N
• XLogP: 8.24
• TPSA: 723.49 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 35
• Rotatable Bonds: 44
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2700.29
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	35

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': '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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid?

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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid (CID 162115156) 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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid.

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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid?

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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid 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)CN2C(=O)C=CC2=O)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O.C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC2=CCc3ccccc32)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid?

The InChIKey is ZGRAVWDKDPXPDY-KVPBKVSUSA-N. The full InChI is InChI=1S/C74H92N8O16S3.C62H79N9O15S2/c1-44(83)61-68(92)79-59(67(91)82-62(45(2)84)69(93)94)43-101-100-42-57(78-66(90)58(80-71(96)98-73(6,7)8)41-99-74(50-23-12-9-13-24-50,51-25-14-10-15-26-51)52-27-16-11-17-28-52)60(86)40-49(38-46-31-35-53(85)36-32-46)63(87)77-56(39-48-34-33-47-22-18-19-29-54(47)48)65(89)76-55(64(88)81-61)30-20-21-37-75-70(95)97-72(3,4)5;1-36(73)47(33-72)67-59(83)49-35-88-87-34-48(68-57(81)45(29-39-18-10-7-11-19-39)64-51(76)32-71-52(77)25-26-53(71)78)50(75)31-42(28-38-16-8-6-9-17-38)55(79)66-46(30-41-24-23-40-20-12-13-21-43(40)41)58(82)65-44(56(80)70-54(37(2)74)60(84)69-49)22-14-15-27-63-61(85)86-62(3,4)5/h9-19,22-29,31-32,34-36,44-45,49,55-59,61-62,83-85H,20-21,30,33,37-43H2,1-8H3,(H,75,95)(H,76,89)(H,77,87)(H,78,90)(H,79,92)(H,80,96)(H,81,88)(H,82,91)(H,93,94);6-13,16-21,24-26,36-37,42,44-49,54,72-74H,14-15,22-23,27-35H2,1-5H3,(H,63,85)(H,64,76)(H,65,82)(H,66,79)(H,67,83)(H,68,81)(H,69,84)(H,70,80)/t44-,45-,49-,55+,56-,57+,58-,59+,61+,62+;36-,37-,42-,44+,45-,46-,47-,48+,49+,54+/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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid?

tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-19-[[(2R)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid has a molecular weight of 2700.29 g/mol, XLogP of 8.24, 44 rotatable bonds, 23 hydrogen bond donors, and 35 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-[[2-(2,5-dioxopyrrol-1-yl)acetyl]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;(2S,3R)-3-hydroxy-2-[[(4R,7S,10S,13R,16R,19R)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 162115156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).