tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid

C142H191N23O37S4 — CID 160787022

About tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid

tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid (PubChem CID 160787022) has the molecular formula C142H191N23O37S4 and a molecular weight of 2940.48 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid
• PubChem CID: 160787022
• Molecular Formula: C142H191N23O37S4
• Molecular Weight: 2940.48 g/mol
• Exact Mass: 2938.27
• IUPAC Name: tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCCN1C(=O)C=CC1=O)C(N)=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](Cc2ccc(O)cc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CSSC[C@@H](C(=O)O)NC1=O.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](Cc2ccc(O)cc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CSSC[C@@H](C(=O)N[C@@H](CCC(=O)NCCCN2C(=O)C=CC2=O)C(N)=O)NC1=O
• InChI: InChI=1S/C68H90N12O17S2.C57H75N7O14S2.C17H26N4O6/c1-39(81)57-64(93)77-52(63(92)73-47(58(69)87)25-26-54(84)70-30-15-31-80-55(85)27-28-56(80)86)38-99-98-37-51(76-61(90)49(33-40-16-9-8-10-17-40)78-66(95)97-68(5,6)7)53(83)35-42(32-41-21-23-44(82)24-22-41)59(88)75-50(34-43-36-72-46-19-12-11-18-45(43)46)62(91)74-48(60(89)79-57)20-13-14-29-71-65(94)96-67(2,3)4;1-33(65)47-52(72)62-45(53(73)74)32-80-79-31-44(61-50(70)42(28-34-15-9-8-10-16-34)63-55(76)78-57(5,6)7)46(67)30-38(27-35-20-24-39(66)25-21-35)48(68)60-43(29-37-23-22-36-17-11-12-18-40(36)37)51(71)59-41(49(69)64-47)19-13-14-26-58-54(75)77-56(2,3)4;1-17(2,3)27-16(26)20-11(15(18)25)5-6-12(22)19-9-4-10-21-13(23)7-8-14(21)24/h8-12,16-19,21-24,27-28,36,39,42,47-52,57,72,81-82H,13-15,20,25-26,29-35,37-38H2,1-7H3,(H2,69,87)(H,70,84)(H,71,94)(H,73,92)(H,74,91)(H,75,88)(H,76,90)(H,77,93)(H,78,95)(H,79,89);8-12,15-18,20-21,23-25,33,38,41-45,47,65-66H,13-14,19,22,26-32H2,1-7H3,(H,58,75)(H,59,71)(H,60,68)(H,61,70)(H,62,72)(H,63,76)(H,64,69)(H,73,74);7-8,11H,4-6,9-10H2,1-3H3,(H2,18,25)(H,19,22)(H,20,26)/t39-,42-,47+,48+,49-,50-,51+,52+,57+;33-,38-,41+,42-,43-,44+,45+,47+;11-/m110/s1
• InChIKey: SBINTCMKEOPSEB-HZJLWZGRSA-N
• XLogP: 6.68
• TPSA: 899.04 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 40
• Rotatable Bonds: 50
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2940.48
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	40

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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid?

The IUPAC name of tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid (CID 160787022) is tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid.

What is the SMILES notation for tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid?

The canonical SMILES for tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid is CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCCN1C(=O)C=CC1=O)C(N)=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](Cc2ccc(O)cc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CSSC[C@@H](C(=O)O)NC1=O.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](Cc2ccc(O)cc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CSSC[C@@H](C(=O)N[C@@H](CCC(=O)NCCCN2C(=O)C=CC2=O)C(N)=O)NC1=O.

What is the InChIKey of tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid?

The InChIKey is SBINTCMKEOPSEB-HZJLWZGRSA-N. The full InChI is InChI=1S/C68H90N12O17S2.C57H75N7O14S2.C17H26N4O6/c1-39(81)57-64(93)77-52(63(92)73-47(58(69)87)25-26-54(84)70-30-15-31-80-55(85)27-28-56(80)86)38-99-98-37-51(76-61(90)49(33-40-16-9-8-10-17-40)78-66(95)97-68(5,6)7)53(83)35-42(32-41-21-23-44(82)24-22-41)59(88)75-50(34-43-36-72-46-19-12-11-18-45(43)46)62(91)74-48(60(89)79-57)20-13-14-29-71-65(94)96-67(2,3)4;1-33(65)47-52(72)62-45(53(73)74)32-80-79-31-44(61-50(70)42(28-34-15-9-8-10-16-34)63-55(76)78-57(5,6)7)46(67)30-38(27-35-20-24-39(66)25-21-35)48(68)60-43(29-37-23-22-36-17-11-12-18-40(36)37)51(71)59-41(49(69)64-47)19-13-14-26-58-54(75)77-56(2,3)4;1-17(2,3)27-16(26)20-11(15(18)25)5-6-12(22)19-9-4-10-21-13(23)7-8-14(21)24/h8-12,16-19,21-24,27-28,36,39,42,47-52,57,72,81-82H,13-15,20,25-26,29-35,37-38H2,1-7H3,(H2,69,87)(H,70,84)(H,71,94)(H,73,92)(H,74,91)(H,75,88)(H,76,90)(H,77,93)(H,78,95)(H,79,89);8-12,15-18,20-21,23-25,33,38,41-45,47,65-66H,13-14,19,22,26-32H2,1-7H3,(H,58,75)(H,59,71)(H,60,68)(H,61,70)(H,62,72)(H,63,76)(H,64,69)(H,73,74);7-8,11H,4-6,9-10H2,1-3H3,(H2,18,25)(H,19,22)(H,20,26)/t39-,42-,47+,48+,49-,50-,51+,52+,57+;33-,38-,41+,42-,43-,44+,45+,47+;11-/m110/s1.

What are the key properties of tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid?

tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid has a molecular weight of 2940.48 g/mol, XLogP of 6.68, 50 rotatable bonds, 26 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-4-[[(2S)-1-amino-5-[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(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-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid is sourced from PubChem (CID 160787022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).