2-[[6-azanyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]hexanoyl]amino]ethanoic acid

Systemtic Name: 2-[[6-azanyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]hexanoyl]amino]ethanoic acid Openeye Name: 2-[[6-amino-2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]hexanoyl]amino]acetic acid CAS Name: 2-[[6-amino-1-oxo-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]hexyl]amino]acetic acid IUPAC Name: 2-[[6-amino-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]hexanoyl]amino]acetic acid Traditional Name: 2-[[6-amino-2-[(1-carbobenzoxyprolyl)amino]hexanoyl]amino]acetic acid Formula: C21H30N4O6 MolecularWeight: 434.4861

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NCC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NCC(=O)O

InChI

InChI=1S/C21H30N4O6/c22-11-5-4-9-16(19(28)23-13-18(26)27)24-20(29)17-10-6-12-25(17)21(30)31-14-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14,22H2,(H,23,28)(H,24,29)(H,26,27)