(2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone

C65H85FN8O15 — CID 158326192

About (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone

(2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone (PubChem CID 158326192) has the molecular formula C65H85FN8O15 and a molecular weight of 1238.44 g/mol. Its IUPAC name is (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone.

Molecular Properties

• Compound Name: (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone
• PubChem CID: 158326192
• Molecular Formula: C65H85FN8O15
• Molecular Weight: 1238.44 g/mol
• Exact Mass: 1237.62
• IUPAC Name: (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone
• SMILES: C[C@@H](O)[C@H](/N=C(\c1ccccc1)c1ccccc1O)C(=O)C1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O.C[C@@H](O)[C@H](N)C(=O)C1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O.O=C(c1ccccc1)c1ccccc1O.[2H]CF
• InChI: InChI=1S/C32H40N4O7.C19H32N4O6.C13H10O2.CH3F/c1-18(37)26(34-28(20-10-4-3-5-11-20)23-12-6-7-16-25(23)39)29(40)21-13-8-14-22(21)32(43)36-17-9-15-24(36)31(42)35-27(19(2)38)30(33)41;1-9(24)14(20)16(26)11-5-3-6-12(11)19(29)23-8-4-7-13(23)18(28)22-15(10(2)25)17(21)27;14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-2/h3-7,10-12,16,18-19,21-22,24,26-27,37-39H,8-9,13-15,17H2,1-2H3,(H2,33,41)(H,35,42);9-15,24-25H,3-8,20H2,1-2H3,(H2,21,27)(H,22,28);1-9,14H;1H3/b34-28+;;;/t18-,19-,21?,22-,24+,26+,27+;9-,10-,11?,12-,13+,14+,15+;;/m11../s1/i;;;1D
• InChIKey: GPKZZUDRFKIPDM-YEKLOVMYSA-N
• XLogP: 2.54
• TPSA: 395.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1238.44
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone?

The IUPAC name of (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone (CID 158326192) is (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone.

What is the SMILES notation for (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone?

The canonical SMILES for (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone is C[C@@H](O)[C@H](/N=C(\c1ccccc1)c1ccccc1O)C(=O)C1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O.C[C@@H](O)[C@H](N)C(=O)C1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O.O=C(c1ccccc1)c1ccccc1O.[2H]CF.

What is the InChIKey of (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone?

The InChIKey is GPKZZUDRFKIPDM-YEKLOVMYSA-N. The full InChI is InChI=1S/C32H40N4O7.C19H32N4O6.C13H10O2.CH3F/c1-18(37)26(34-28(20-10-4-3-5-11-20)23-12-6-7-16-25(23)39)29(40)21-13-8-14-22(21)32(43)36-17-9-15-24(36)31(42)35-27(19(2)38)30(33)41;1-9(24)14(20)16(26)11-5-3-6-12(11)19(29)23-8-4-7-13(23)18(28)22-15(10(2)25)17(21)27;14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-2/h3-7,10-12,16,18-19,21-22,24,26-27,37-39H,8-9,13-15,17H2,1-2H3,(H2,33,41)(H,35,42);9-15,24-25H,3-8,20H2,1-2H3,(H2,21,27)(H,22,28);1-9,14H;1H3/b34-28+;;;/t18-,19-,21?,22-,24+,26+,27+;9-,10-,11?,12-,13+,14+,15+;;/m11../s1/i;;;1D.

What are the key properties of (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone?

(2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone has a molecular weight of 1238.44 g/mol, XLogP of 2.54, 21 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(1R)-2-[(2S,3R)-3-hydroxy-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]butanoyl]cyclopentanecarbonyl]pyrrolidine-2-carboxamide;deuterio(fluoro)methane;(2-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 158326192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).