(2S,3S)-2-[(4-butylphenyl)carbamoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(4-butylphenyl)carbamoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(4-butylphenyl)carbamoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(4-butylanilino)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(4-butylphenyl)carbamoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(4-butylphenyl)carbamoylamino]-3-methyl-valerate Formula: C17H25N2O3- MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC(C(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N[C@@H]([C@@H](C)CC)C(=O)[O-]

InChI

InChI=1S/C17H26N2O3/c1-4-6-7-13-8-10-14(11-9-13)18-17(22)19-15(16(20)21)12(3)5-2/h8-12,15H,4-7H2,1-3H3,(H,20,21)(H2,18,19,22)/p-1/t12-,15-/m0/s1