methyl (2S)-2-[[(2S)-2-[(4-acetamidophenyl)carbonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[(4-acetamidophenyl)carbonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[(4-acetamidobenzoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[(4-acetamidophenyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[(4-acetamidobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[(4-acetamidobenzoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C28H29N3O5/c1-19(32)29-23-15-13-22(14-16-23)26(33)30-24(17-20-9-5-3-6-10-20)27(34)31-25(28(35)36-2)18-21-11-7-4-8-12-21/h3-16,24-25H,17-18H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)/t24-,25-/m0/s1