2-[3-[(6-azanylhexanoylamino)methyl]-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[3-[(6-azanylhexanoylamino)methyl]-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[(6-aminohexanoylamino)methyl]-1-benzyl-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[[(6-amino-1-oxohexyl)amino]methyl]-2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[(6-aminohexanoylamino)methyl]-1-benzyl-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[(6-aminohexanoylamino)methyl]-1-benzyl-2-keto-pyrrolidin-3-yl]acetic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1(CC(=O)O)CNC(=O)CCCCCN)CC2=CC=CC=C2

Isomeric SMILES

C1CN(C(=O)C1(CC(=O)O)CNC(=O)CCCCCN)CC2=CC=CC=C2

InChI

InChI=1S/C20H29N3O4/c21-11-6-2-5-9-17(24)22-15-20(13-18(25)26)10-12-23(19(20)27)14-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15,21H2,(H,22,24)(H,25,26)