(2R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-2-[(1S)-1-(N-hydroxyformamido)ethyl]-5-phenylpentanamide

(2R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-2-[(1S)-1-(N-hydroxyformamido)ethyl]-5-phenylpentanamide

CAS: 260264-93-5

Formula: C21H33N3O4

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](CCCC1=CC=CC=C1)[C@H](C)N(O)C=O)C(C)(C)C

IUPAC: (2R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-2-[(1S)-1-(N-hydroxyformamido)ethyl]-5-phenylpentanamide

InChI: InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1

Composition: C (64.42%), H (8.50%), N (10.73%), O (16.35%)

Molar Mass: 391.512

Atom Count: 61

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	391.247106555
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	GHVMTHKJUAOZJP-CGTJXYLNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.72
Topological Polar Surface Area	98.74
Polarizability	42.14
Ring Count	1
Rotatable Bond Count	10

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