methyl (2R)-2-[[(2S)-4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2R)-2-[[(2S)-4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[[(2S)-4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[(2S)-4-amino-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[(2S)-4-amino-2-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6/c1-11(2)15(17(24)26-3)21-16(23)13(9-14(19)22)20-18(25)27-10-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H2,19,22)(H,20,25)(H,21,23)/t13-,15+/m0/s1