propyl (2S)-2-[[(2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: propyl (2S)-2-[[(2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: propyl (2S)-2-[[(2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid propyl ester IUPAC Name: propyl (2S)-2-[[(2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-3-methyl-2-(p-toluoylamino)butanoyl]amino]-3-phenyl-propionic acid propyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H32N2O4/c1-5-15-31-25(30)21(16-19-9-7-6-8-10-19)26-24(29)22(17(2)3)27-23(28)20-13-11-18(4)12-14-20/h6-14,17,21-22H,5,15-16H2,1-4H3,(H,26,29)(H,27,28)/t21-,22-/m0/s1