(3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

C96H121F2N17O22S — CID 130420157

IUPAC(3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
SMILESCOCC[C@@H](C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N(C)[C@H](C=O)Cc1ccccc1)C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)CSC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@@H](N)Cc1ccc(OC)cc1)C(=O)NCC(N)=O
InChIInChI=1S/C96H121F2N17O22S/c1-54(2)84(96(135)111(3)61(51-116)37-55-17-10-8-11-18-55)110-89(128)74(46-83(122)123)108-91(130)79-45-64(119)50-115(79)95(134)77(34-36-136-6)112(4)94(133)80(42-56-19-12-9-13-20-56)113(5)93(132)75(41-59-28-33-67(97)68(98)38-59)104-82(121)53-138-52-76(85(124)103-48-81(101)120)109-86(125)71(23-16-35-99)105-87(126)72(40-58-24-29-62(117)30-25-58)106-88(127)73(43-60-47-102-70-22-15-14-21-66(60)70)107-90(129)78-44-63(118)49-114(78)92(131)69(100)39-57-26-31-65(137-7)32-27-57/h8-15,17-22,24-33,38,47,51,54,61,63-64,69,71-80,84,102,117-119H,16,23,34-37,39-46,48-50,52-53,99-100H2,1-7H3,(H2,101,120)(H,103,124)(H,104,121)(H,105,126)(H,106,127)(H,107,129)(H,108,130)(H,109,125)(H,110,128)(H,122,123)/t61-,63-,64-,69-,71-,72-,73-,74-,75-,76-,77-,78+,79+,80-,84-/m0/s1
InChIKeyXRYQTMLAELZSGW-YSJVOZECSA-N
MW1935.18 g/mol
LogP-0.52
Rot. Bonds51

About (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

(3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 130420157) has the molecular formula C96H121F2N17O22S and a molecular weight of 1935.18 g/mol. Its IUPAC name is (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
PubChem CID130420157
Molecular FormulaC96H121F2N17O22S
Molecular Weight1935.18 g/mol
Exact Mass1933.86
IUPAC Name(3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
SMILESCOCC[C@@H](C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N(C)[C@H](C=O)Cc1ccccc1)C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)CSC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@@H](N)Cc1ccc(OC)cc1)C(=O)NCC(N)=O
InChIInChI=1S/C96H121F2N17O22S/c1-54(2)84(96(135)111(3)61(51-116)37-55-17-10-8-11-18-55)110-89(128)74(46-83(122)123)108-91(130)79-45-64(119)50-115(79)95(134)77(34-36-136-6)112(4)94(133)80(42-56-19-12-9-13-20-56)113(5)93(132)75(41-59-28-33-67(97)68(98)38-59)104-82(121)53-138-52-76(85(124)103-48-81(101)120)109-86(125)71(23-16-35-99)105-87(126)72(40-58-24-29-62(117)30-25-58)106-88(127)73(43-60-47-102-70-22-15-14-21-66(60)70)107-90(129)78-44-63(118)49-114(78)92(131)69(100)39-57-26-31-65(137-7)32-27-57/h8-15,17-22,24-33,38,47,51,54,61,63-64,69,71-80,84,102,117-119H,16,23,34-37,39-46,48-50,52-53,99-100H2,1-7H3,(H2,101,120)(H,103,124)(H,104,121)(H,105,126)(H,106,127)(H,107,129)(H,108,130)(H,109,125)(H,110,128)(H,122,123)/t61-,63-,64-,69-,71-,72-,73-,74-,75-,76-,77-,78+,79+,80-,84-/m0/s1
InChIKeyXRYQTMLAELZSGW-YSJVOZECSA-N
XLogP-0.52
TPSA578.79 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds51
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001935.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid (CID 130420157) is (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid is COCC[C@@H](C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N(C)[C@H](C=O)Cc1ccccc1)C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)CSC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@@H](N)Cc1ccc(OC)cc1)C(=O)NCC(N)=O.
What is the InChIKey of (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is XRYQTMLAELZSGW-YSJVOZECSA-N. The full InChI is InChI=1S/C96H121F2N17O22S/c1-54(2)84(96(135)111(3)61(51-116)37-55-17-10-8-11-18-55)110-89(128)74(46-83(122)123)108-91(130)79-45-64(119)50-115(79)95(134)77(34-36-136-6)112(4)94(133)80(42-56-19-12-9-13-20-56)113(5)93(132)75(41-59-28-33-67(97)68(98)38-59)104-82(121)53-138-52-76(85(124)103-48-81(101)120)109-86(125)71(23-16-35-99)105-87(126)72(40-58-24-29-62(117)30-25-58)106-88(127)73(43-60-47-102-70-22-15-14-21-66(60)70)107-90(129)78-44-63(118)49-114(78)92(131)69(100)39-57-26-31-65(137-7)32-27-57/h8-15,17-22,24-33,38,47,51,54,61,63-64,69,71-80,84,102,117-119H,16,23,34-37,39-46,48-50,52-53,99-100H2,1-7H3,(H2,101,120)(H,103,124)(H,104,121)(H,105,126)(H,106,127)(H,107,129)(H,108,130)(H,109,125)(H,110,128)(H,122,123)/t61-,63-,64-,69-,71-,72-,73-,74-,75-,76-,77-,78+,79+,80-,84-/m0/s1.
What are the key properties of (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?
(3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 1935.18 g/mol, XLogP of -0.52, 51 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2R,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]sulfanylacetyl]amino]-3-(3,4-difluorophenyl)propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-4-methoxybutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[[(2S)-3-methyl-1-[methyl-[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 130420157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).