tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate

C144H192N20O30S6 — CID 158032021

About tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate (PubChem CID 158032021) has the molecular formula C144H192N20O30S6 and a molecular weight of 2875.63 g/mol. Its IUPAC name is tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate
• PubChem CID: 158032021
• Molecular Formula: C144H192N20O30S6
• Molecular Weight: 2875.63 g/mol
• Exact Mass: 2873.24
• IUPAC Name: tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate
• SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)NC2CCCCC2)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)CCCCCCN1C(=O)C=CC1=O.C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)NC2CCCCC2)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)CCCSSc1ccccn1
• InChI: InChI=1S/C73H98N10O16S2.C71H94N10O14S4/c1-44(84)63(59(87)27-14-6-7-19-37-83-61(89)34-35-62(83)90)81-69(95)58-43-101-100-42-57(78-67(93)55(39-46-20-10-8-11-21-46)80-71(97)75-51-23-12-9-13-24-51)60(88)41-50(38-47-28-32-52(86)33-29-47)65(91)77-56(40-49-31-30-48-22-15-16-25-53(48)49)68(94)76-54(66(92)82-64(45(2)85)70(96)79-58)26-17-18-36-74-72(98)99-73(3,4)5;1-43(82)61(58(85)26-18-36-96-99-60-27-15-17-34-72-60)80-67(91)57-42-98-97-41-56(77-65(89)54(38-45-19-8-6-9-20-45)79-69(93)74-50-22-10-7-11-23-50)59(86)40-49(37-46-28-32-51(84)33-29-46)63(87)76-55(39-48-31-30-47-21-12-13-24-52(47)48)66(90)75-53(64(88)81-62(44(2)83)68(92)78-57)25-14-16-35-73-70(94)95-71(3,4)5/h8,10-11,15-16,20-22,25,28-29,31-35,44-45,50-51,54-58,63-64,84-86H,6-7,9,12-14,17-19,23-24,26-27,30,36-43H2,1-5H3,(H,74,98)(H,76,94)(H,77,91)(H,78,93)(H,79,96)(H,81,95)(H,82,92)(H2,75,80,97);6,8-9,12-13,15,17,19-21,24,27-29,31-34,43-44,49-50,53-57,61-62,82-84H,7,10-11,14,16,18,22-23,25-26,30,35-42H2,1-5H3,(H,73,94)(H,75,90)(H,76,87)(H,77,89)(H,78,92)(H,80,91)(H,81,88)(H2,74,79,93)/t44-,45-,50-,54+,55-,56-,57+,58+,63+,64+;43-,44-,49-,53+,54-,55-,56+,57+,61+,62+/m11/s1
• InChIKey: FHHHKZKTTUUPPP-YJQMSPLHSA-N
• XLogP: 11.72
• TPSA: 748.05 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 37
• Rotatable Bonds: 53
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2875.63
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	24
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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate (CID 158032021) is tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate is C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)NC2CCCCC2)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)CCCCCCN1C(=O)C=CC1=O.C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)NC2CCCCC2)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)CCCSSc1ccccn1.

What is the InChIKey of tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate?

The InChIKey is FHHHKZKTTUUPPP-YJQMSPLHSA-N. The full InChI is InChI=1S/C73H98N10O16S2.C71H94N10O14S4/c1-44(84)63(59(87)27-14-6-7-19-37-83-61(89)34-35-62(83)90)81-69(95)58-43-101-100-42-57(78-67(93)55(39-46-20-10-8-11-21-46)80-71(97)75-51-23-12-9-13-24-51)60(88)41-50(38-47-28-32-52(86)33-29-47)65(91)77-56(40-49-31-30-48-22-15-16-25-53(48)49)68(94)76-54(66(92)82-64(45(2)85)70(96)79-58)26-17-18-36-74-72(98)99-73(3,4)5;1-43(82)61(58(85)26-18-36-96-99-60-27-15-17-34-72-60)80-67(91)57-42-98-97-41-56(77-65(89)54(38-45-19-8-6-9-20-45)79-69(93)74-50-22-10-7-11-23-50)59(86)40-49(37-46-28-32-51(84)33-29-46)63(87)76-55(39-48-31-30-47-21-12-13-24-52(47)48)66(90)75-53(64(88)81-62(44(2)83)68(92)78-57)25-14-16-35-73-70(94)95-71(3,4)5/h8,10-11,15-16,20-22,25,28-29,31-35,44-45,50-51,54-58,63-64,84-86H,6-7,9,12-14,17-19,23-24,26-27,30,36-43H2,1-5H3,(H,74,98)(H,76,94)(H,77,91)(H,78,93)(H,79,96)(H,81,95)(H,82,92)(H2,75,80,97);6,8-9,12-13,15,17,19-21,24,27-29,31-34,43-44,49-50,53-57,61-62,82-84H,7,10-11,14,16,18,22-23,25-26,30,35-42H2,1-5H3,(H,73,94)(H,75,90)(H,76,87)(H,77,89)(H,78,92)(H,80,91)(H,81,88)(H2,74,79,93)/t44-,45-,50-,54+,55-,56-,57+,58+,63+,64+;43-,44-,49-,53+,54-,55-,56+,57+,61+,62+/m11/s1.

What are the key properties of tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate has a molecular weight of 2875.63 g/mol, XLogP of 11.72, 53 rotatable bonds, 24 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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-4-[[(2R,3S)-10-(2,5-dioxopyrrol-1-yl)-2-hydroxy-4-oxodecan-3-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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)-19-[[(2R)-2-(cyclohexylcarbamoylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-4-[[(2R,3S)-2-hydroxy-4-oxo-7-(pyridin-2-yldisulfanyl)heptan-3-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-10-yl]butyl]carbamate is sourced from PubChem (CID 158032021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).