(phenylmethyl) (3S)-3-azanyl-4-[[(2S)-1-(methylamino)-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-[[(2S)-1-(methylamino)-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-amino-4-[[(1S)-2-(methylamino)-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-amino-4-[[(2S)-1-(methylamino)-3-(1-naphthalenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-amino-4-[[(2S)-1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-keto-4-[[(1S)-2-keto-2-(methylamino)-1-(1-naphthylmethyl)ethyl]amino]butyric acid benzyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)C(CC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)NC(=O)[C@H](CC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C25H27N3O4/c1-27-25(31)22(14-19-12-7-11-18-10-5-6-13-20(18)19)28-24(30)21(26)15-23(29)32-16-17-8-3-2-4-9-17/h2-13,21-22H,14-16,26H2,1H3,(H,27,31)(H,28,30)/t21-,22-/m0/s1