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

Systemtic Name: (phenylmethyl) (3S)-3-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-5-chloranyl-4-oxidanylidene-pentanoate Openeye Name: benzyl (3S)-3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-5-chloro-4-oxo-pentanoate CAS Name: (3S)-3-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-5-chloro-4-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-chloro-4-oxopentanoate Traditional Name: (3S)-3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-5-chloro-4-keto-valeric acid benzyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c22-13-19(25)18(12-20(26)28-14-16-9-5-2-6-10-16)24-21(27)17(23)11-15-7-3-1-4-8-15/h1-10,17-18H,11-14,23H2,(H,24,27)/t17-,18-/m0/s1