methyl (2S)-2-[[(2R)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-phenylmethoxycarbonyl-amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-phenylmethoxycarbonyl-amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[benzyloxycarbonyl-[(2R)-2,4-diamino-4-oxo-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2R)-2,4-diamino-1,4-dioxobutyl]-phenylmethoxycarbonylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2,4-diamino-4-oxobutanoyl]-phenylmethoxycarbonylamino]-4-methylpentanoate Traditional Name: (2S)-2-[carbobenzoxy-[(2R)-2,4-diamino-4-keto-butanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(C(=O)C(CC(=O)N)N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)N(C(=O)[C@@H](CC(=O)N)N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H27N3O6/c1-12(2)9-15(18(25)27-3)22(17(24)14(20)10-16(21)23)19(26)28-11-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11,20H2,1-3H3,(H2,21,23)/t14-,15+/m1/s1