(4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid

C155H193N17O33S4 — CID 161103864

About (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid

(4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid (PubChem CID 161103864) has the molecular formula C155H193N17O33S4 and a molecular weight of 2950.60 g/mol. Its IUPAC name is (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid.

Molecular Properties

• Compound Name: (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid
• PubChem CID: 161103864
• Molecular Formula: C155H193N17O33S4
• Molecular Weight: 2950.60 g/mol
• Exact Mass: 2948.28
• IUPAC Name: (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid
• SMILES: CC(C)[C@H](CC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)O.CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCCCC[C@@H]1NC(=O)[C@@H](CC2=CCc3ccccc32)NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(C)C.C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CCc3ccccc32)NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)CSSC[C@@H](C(=O)O)NC1=O
• InChI: InChI=1S/C77H95N9O16S2.C62H69N7O12S2.C16H29NO5/c1-43(2)64(84-72(95)65(44(3)4)86-76(100)102-77(6,7)8)71(94)78-35-19-18-28-58-68(91)85-66(45(5)87)73(96)82-62(74(97)98)42-104-103-41-61(63(89)39-50(36-47-29-33-51(88)34-30-47)67(90)80-60(70(93)79-58)38-49-32-31-48-22-12-13-23-52(48)49)81-69(92)59(37-46-20-10-9-11-21-46)83-75(99)101-40-57-55-26-16-14-24-53(55)54-25-15-17-27-56(54)57;1-36(70)55-60(77)67-53(61(78)79)35-83-82-34-52(66-58(75)50(30-37-13-3-2-4-14-37)68-62(80)81-33-48-46-19-9-7-17-44(46)45-18-8-10-20-47(45)48)54(72)32-41(29-38-22-26-42(71)27-23-38)56(73)65-51(31-40-25-24-39-15-5-6-16-43(39)40)59(76)64-49(57(74)69-55)21-11-12-28-63;1-9(2)11(14(19)20)8-12(18)13(10(3)4)17-15(21)22-16(5,6)7/h9-17,20-27,29-30,32-34,43-45,50,57-62,64-66,87-88H,18-19,28,31,35-42H2,1-8H3,(H,78,94)(H,79,93)(H,80,90)(H,81,92)(H,82,96)(H,83,99)(H,84,95)(H,85,91)(H,86,100)(H,97,98);2-10,13-20,22-23,25-27,36,41,48-53,55,70-71H,11-12,21,24,28-35,63H2,1H3,(H,64,76)(H,65,73)(H,66,75)(H,67,77)(H,68,80)(H,69,74)(H,78,79);9-11,13H,8H2,1-7H3,(H,17,21)(H,19,20)/t45-,50-,58+,59-,60-,61+,62+,64+,65+,66+;36-,41-,49+,50-,51-,52+,53+,55+;11-,13-/m110/s1
• InChIKey: UIUGVVWNSLTIGV-IAOTVZEOSA-N
• XLogP: 14.91
• TPSA: 772.57 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 35
• Rotatable Bonds: 48
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2950.60
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	24
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'}

Frequently Asked Questions

What is the IUPAC name of (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid?

The IUPAC name of (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid (CID 161103864) is (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid.

What is the SMILES notation for (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid?

The canonical SMILES for (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid is CC(C)[C@H](CC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)O.CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCCCC[C@@H]1NC(=O)[C@@H](CC2=CCc3ccccc32)NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(C)C.C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CCc3ccccc32)NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)CSSC[C@@H](C(=O)O)NC1=O.

What is the InChIKey of (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid?

The InChIKey is UIUGVVWNSLTIGV-IAOTVZEOSA-N. The full InChI is InChI=1S/C77H95N9O16S2.C62H69N7O12S2.C16H29NO5/c1-43(2)64(84-72(95)65(44(3)4)86-76(100)102-77(6,7)8)71(94)78-35-19-18-28-58-68(91)85-66(45(5)87)73(96)82-62(74(97)98)42-104-103-41-61(63(89)39-50(36-47-29-33-51(88)34-30-47)67(90)80-60(70(93)79-58)38-49-32-31-48-22-12-13-23-52(48)49)81-69(92)59(37-46-20-10-9-11-21-46)83-75(99)101-40-57-55-26-16-14-24-53(55)54-25-15-17-27-56(54)57;1-36(70)55-60(77)67-53(61(78)79)35-83-82-34-52(66-58(75)50(30-37-13-3-2-4-14-37)68-62(80)81-33-48-46-19-9-7-17-44(46)45-18-8-10-20-47(45)48)54(72)32-41(29-38-22-26-42(71)27-23-38)56(73)65-51(31-40-25-24-39-15-5-6-16-43(39)40)59(76)64-49(57(74)69-55)21-11-12-28-63;1-9(2)11(14(19)20)8-12(18)13(10(3)4)17-15(21)22-16(5,6)7/h9-17,20-27,29-30,32-34,43-45,50,57-62,64-66,87-88H,18-19,28,31,35-42H2,1-8H3,(H,78,94)(H,79,93)(H,80,90)(H,81,92)(H,82,96)(H,83,99)(H,84,95)(H,85,91)(H,86,100)(H,97,98);2-10,13-20,22-23,25-27,36,41,48-53,55,70-71H,11-12,21,24,28-35,63H2,1H3,(H,64,76)(H,65,73)(H,66,75)(H,67,77)(H,68,80)(H,69,74)(H,78,79);9-11,13H,8H2,1-7H3,(H,17,21)(H,19,20)/t45-,50-,58+,59-,60-,61+,62+,64+,65+,66+;36-,41-,49+,50-,51-,52+,53+,55+;11-,13-/m110/s1.

What are the key properties of (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid?

(4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid has a molecular weight of 2950.60 g/mol, XLogP of 14.91, 48 rotatable bonds, 24 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-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-tetrazacycloicosane-4-carboxylic acid;(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(3H-inden-1-ylmethyl)-10-[4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carboxylic acid;(2S,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-propan-2-ylheptanoic acid is sourced from PubChem (CID 161103864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).