methyl (2S)-2-[3-[(4-methoxyphenyl)carbamoylamino]propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[(4-methoxyphenyl)carbamoylamino]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-[(4-methoxyphenyl)carbamoylamino]propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(4-methoxyanilino)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[(4-methoxyphenyl)carbamoylamino]propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-[(4-methoxyphenyl)carbamoylamino]propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H25N3O5/c1-28-17-10-8-16(9-11-17)23-21(27)22-13-12-19(25)24-18(20(26)29-2)14-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,24,25)(H2,22,23,27)/t18-/m0/s1