methyl 2-[2-azanylpropanoyl-[4-[hydroxymethyl(phenylmethoxycarbonyl)amino]butanoyl]amino]propanoate

Systemtic Name: methyl 2-[2-azanylpropanoyl-[4-[hydroxymethyl(phenylmethoxycarbonyl)amino]butanoyl]amino]propanoate Openeye Name: methyl 2-[2-aminopropanoyl-[4-[benzyloxycarbonyl(hydroxymethyl)amino]butanoyl]amino]propanoate CAS Name: 2-[(2-amino-1-oxopropyl)-[4-[hydroxymethyl(phenylmethoxycarbonyl)amino]-1-oxobutyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[2-aminopropanoyl-[4-[hydroxymethyl(phenylmethoxycarbonyl)amino]butanoyl]amino]propanoate Traditional Name: 2-[alanyl-[4-[carbobenzoxy(methylol)amino]butanoyl]amino]propionic acid methyl ester Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(C)C(=O)OC)C(=O)CCCN(CO)C(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CC(C(=O)N(C(C)C(=O)OC)C(=O)CCCN(CO)C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C20H29N3O7/c1-14(21)18(26)23(15(2)19(27)29-3)17(25)10-7-11-22(13-24)20(28)30-12-16-8-5-4-6-9-16/h4-6,8-9,14-15,24H,7,10-13,21H2,1-3H3