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

Systemtic Name: (2S)-2-[[(3S)-3-(2-benzamidoethanoylamino)-2-oxidanylidene-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(3S)-3-[(2-benzamidoacetyl)amino]-2-oxo-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(3S)-3-[(2-benzamido-1-oxoethyl)amino]-1,2-dioxo-4-phenylbutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(3S)-3-[(2-benzamidoacetyl)amino]-2-oxo-4-phenylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(3S)-3-(hippuroylamino)-2-keto-4-phenyl-butanoyl]amino]-4-methyl-valeric acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H29N3O6/c1-16(2)13-20(25(33)34)28-24(32)22(30)19(14-17-9-5-3-6-10-17)27-21(29)15-26-23(31)18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,26,31)(H,27,29)(H,28,32)(H,33,34)/t19-,20-/m0/s1