(phenylmethyl) (4S)-4-azanyl-5-[[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4S)-4-azanyl-5-[[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (4S)-4-amino-5-[[(1S)-1-benzyl-3-chloro-2-oxo-propyl]amino]-5-oxo-pentanoate CAS Name: (4S)-4-amino-5-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-amino-5-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-5-oxopentanoate Traditional Name: (4S)-4-amino-5-[[(1S)-1-benzyl-3-chloro-2-keto-propyl]amino]-5-keto-valeric acid benzyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)CCl)NC(=O)C(CCC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)CCl)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C22H25ClN2O4/c23-14-20(26)19(13-16-7-3-1-4-8-16)25-22(28)18(24)11-12-21(27)29-15-17-9-5-2-6-10-17/h1-10,18-19H,11-15,24H2,(H,25,28)/t18-,19-/m0/s1