(phenylmethyl) (2S)-2-[[(2R)-2-(2-azanylethanoylamino)-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2R)-2-(2-azanylethanoylamino)-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[(2R)-2-[(2-aminoacetyl)amino]-4-benzyloxy-4-oxo-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R)-2-[(2-amino-1-oxoethyl)amino]-1,4-dioxo-4-phenylmethoxybutyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2R)-2-[(2-aminoacetyl)amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R)-4-benzoxy-2-(glycylamino)-4-keto-butanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)CN

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H](CC(=O)OCC2=CC=CC=C2)NC(=O)CN

InChI

InChI=1S/C25H31N3O6/c1-17(2)23(25(32)34-16-19-11-7-4-8-12-19)28-24(31)20(27-21(29)14-26)13-22(30)33-15-18-9-5-3-6-10-18/h3-12,17,20,23H,13-16,26H2,1-2H3,(H,27,29)(H,28,31)/t20-,23+/m1/s1