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

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-[[(2S)-1-azanyl-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-amino-4-[[(1S)-2-amino-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-amino-4-[[(2S)-1-amino-3-(1-naphthalenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-amino-4-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-[[(1S)-2-amino-2-keto-1-(1-naphthylmethyl)ethyl]amino]-4-keto-butyric acid benzyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)N[C@@H](CC2=CC=CC3=CC=CC=C32)C(=O)N)N

InChI

InChI=1S/C24H25N3O4/c25-20(14-22(28)31-15-16-7-2-1-3-8-16)24(30)27-21(23(26)29)13-18-11-6-10-17-9-4-5-12-19(17)18/h1-12,20-21H,13-15,25H2,(H2,26,29)(H,27,30)/t20-,21-/m0/s1