tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C148H204N20O34S4 — CID 157293302

About tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 157293302) has the molecular formula C148H204N20O34S4 and a molecular weight of 2935.63 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• PubChem CID: 157293302
• Molecular Formula: C148H204N20O34S4
• Molecular Weight: 2935.63 g/mol
• Exact Mass: 2933.37
• IUPAC Name: tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• SMILES: CCCC(=O)NCCCC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)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.CCCC(=O)NCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)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@@H](C)O
• InChI: InChI=1S/C75H98N10O15S2.C73H106N10O19S2/c1-9-20-64(90)76-36-19-28-62(88)57(40-51-42-78-55-26-16-15-25-54(51)55)80-70(95)61-44-102-101-43-60(82-68(93)58(38-46-21-11-10-12-22-46)84-73(98)100-75(6,7)8)63(89)41-50(37-47-29-33-52(87)34-30-47)66(91)81-59(39-49-32-31-48-23-13-14-24-53(48)49)69(94)79-56(67(92)85-65(45(2)86)71(96)83-61)27-17-18-35-77-72(97)99-74(3,4)5;1-10-18-60(88)74-31-33-98-35-37-100-38-36-99-34-32-75-68(94)61(45(2)84)82-67(93)58-44-104-103-43-57(79-65(91)55(40-47-19-12-11-13-20-47)81-71(97)102-73(7,8)9)59(87)42-51(39-48-24-28-52(86)29-25-48)63(89)78-56(41-50-27-26-49-21-14-15-22-53(49)50)66(92)77-54(64(90)83-62(46(3)85)69(95)80-58)23-16-17-30-76-70(96)101-72(4,5)6/h10-16,21-26,29-30,32-34,42,45,50,56-61,65,78,86-87H,9,17-20,27-28,31,35-41,43-44H2,1-8H3,(H,76,90)(H,77,97)(H,79,94)(H,80,95)(H,81,91)(H,82,93)(H,83,96)(H,84,98)(H,85,92);11-15,19-22,24-25,27-29,45-46,51,54-58,61-62,84-86H,10,16-18,23,26,30-44H2,1-9H3,(H,74,88)(H,75,94)(H,76,96)(H,77,92)(H,78,89)(H,79,91)(H,80,95)(H,81,97)(H,82,93)(H,83,90)/t45-,50-,56+,57+,58-,59-,60+,61+,65+;45-,46-,51-,54+,55-,56-,57+,58+,61+,62+/m11/s1
• InChIKey: BBBBBRBRMRHVDR-GTQZQIKKSA-N
• XLogP: 10.56
• TPSA: 785.66 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 38
• Rotatable Bonds: 59
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2935.63
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	38

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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 157293302) is tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is CCCC(=O)NCCCC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)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.CCCC(=O)NCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)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@@H](C)O.

What is the InChIKey of tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The InChIKey is BBBBBRBRMRHVDR-GTQZQIKKSA-N. The full InChI is InChI=1S/C75H98N10O15S2.C73H106N10O19S2/c1-9-20-64(90)76-36-19-28-62(88)57(40-51-42-78-55-26-16-15-25-54(51)55)80-70(95)61-44-102-101-43-60(82-68(93)58(38-46-21-11-10-12-22-46)84-73(98)100-75(6,7)8)63(89)41-50(37-47-29-33-52(87)34-30-47)66(91)81-59(39-49-32-31-48-23-13-14-24-53(48)49)69(94)79-56(67(92)85-65(45(2)86)71(96)83-61)27-17-18-35-77-72(97)99-74(3,4)5;1-10-18-60(88)74-31-33-98-35-37-100-38-36-99-34-32-75-68(94)61(45(2)84)82-67(93)58-44-104-103-43-57(79-65(91)55(40-47-19-12-11-13-20-47)81-71(97)102-73(7,8)9)59(87)42-51(39-48-24-28-52(86)29-25-48)63(89)78-56(41-50-27-26-49-21-14-15-22-53(49)50)66(92)77-54(64(90)83-62(46(3)85)69(95)80-58)23-16-17-30-76-70(96)101-72(4,5)6/h10-16,21-26,29-30,32-34,42,45,50,56-61,65,78,86-87H,9,17-20,27-28,31,35-41,43-44H2,1-8H3,(H,76,90)(H,77,97)(H,79,94)(H,80,95)(H,81,91)(H,82,93)(H,83,96)(H,84,98)(H,85,92);11-15,19-22,24-25,27-29,45-46,51,54-58,61-62,84-86H,10,16-18,23,26,30-44H2,1-9H3,(H,74,88)(H,75,94)(H,76,96)(H,77,92)(H,78,89)(H,79,91)(H,80,95)(H,81,97)(H,82,93)(H,83,90)/t45-,50-,56+,57+,58-,59-,60+,61+,65+;45-,46-,51-,54+,55-,56-,57+,58+,61+,62+/m11/s1.

What are the key properties of tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 2935.63 g/mol, XLogP of 10.56, 59 rotatable bonds, 25 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S,3R)-1-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-6-(butanoylamino)-1-(1H-indol-3-yl)-3-oxohexan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 157293302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).