(2S)-2-[[(3S)-3-(2-benzamidoethanoylamino)-2-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(3S)-3-(2-benzamidoethanoylamino)-2-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(3S)-3-[(2-benzamidoacetyl)amino]-2-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(3S)-3-[(2-benzamido-1-oxoethyl)amino]-1,2-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(3S)-3-[(2-benzamidoacetyl)amino]-2-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(3S)-3-(hippuroylamino)-2-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(=O)C(C)NC(=O)CNC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6/c1-11(2)9-14(19(27)28)22-18(26)16(24)12(3)21-15(23)10-20-17(25)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,20,25)(H,21,23)(H,22,26)(H,27,28)/t12-,14-/m0/s1