methyl (2S)-2-[[(2S)-2-azanyl-3-(3,4-diacetyloxyphenyl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-(3,4-diacetyloxyphenyl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-(3,4-diacetoxyphenyl)propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-amino-3-(3,4-diacetyloxyphenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-(3,4-diacetyloxyphenyl)propanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(3,4-diacetoxyphenyl)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)OC)N)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)N)OC(=O)C

InChI

InChI=1S/C23H26N2O7/c1-14(26)31-20-10-9-17(13-21(20)32-15(2)27)11-18(24)22(28)25-19(23(29)30-3)12-16-7-5-4-6-8-16/h4-10,13,18-19H,11-12,24H2,1-3H3,(H,25,28)/t18-,19-/m0/s1