2-[[(3S)-3-azanyl-4-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[(3S)-3-azanyl-4-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(3S)-3-amino-4-[(4-methoxyphenyl)methylamino]-4-oxo-butanoyl]-methyl-amino]acetic acid CAS Name: 2-[[(3S)-3-amino-4-[(4-methoxyphenyl)methylamino]-1,4-dioxobutyl]-methylamino]acetic acid IUPAC Name: 2-[[(3S)-3-amino-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoyl]-methylamino]acetic acid Traditional Name: 2-[[(3S)-3-amino-4-keto-4-(p-anisylamino)butanoyl]-methyl-amino]acetic acid Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)CC(C(=O)NCC1=CC=C(C=C1)OC)N

Isomeric SMILES

CN(CC(=O)O)C(=O)C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)N

InChI

InChI=1S/C15H21N3O5/c1-18(9-14(20)21)13(19)7-12(16)15(22)17-8-10-3-5-11(23-2)6-4-10/h3-6,12H,7-9,16H2,1-2H3,(H,17,22)(H,20,21)/t12-/m0/s1