(2S,3S)-2-(aminocarbonylamino)-N-[4-(azepan-1-yl)phenyl]-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-N-[4-(azepan-1-yl)phenyl]-3-methyl-pentanamide Openeye Name: (2S,3S)-N-[4-(azepan-1-yl)phenyl]-3-methyl-2-ureido-pentanamide CAS Name: (2S,3S)-N-[4-(1-azepanyl)phenyl]-2-(carbamoylamino)-3-methylpentanamide IUPAC Name: (2S,3S)-N-[4-(azepan-1-yl)phenyl]-2-(carbamoylamino)-3-methylpentanamide Traditional Name: (2S,3S)-N-[4-(azepan-1-yl)phenyl]-3-methyl-2-ureido-valeramide Formula: C19H30N4O2 MolecularWeight: 346.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)N2CCCCCC2)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCCC2)NC(=O)N

InChI

InChI=1S/C19H30N4O2/c1-3-14(2)17(22-19(20)25)18(24)21-15-8-10-16(11-9-15)23-12-6-4-5-7-13-23/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,21,24)(H3,20,22,25)/t14-,17-/m0/s1