3-[[4-(3-aminophenyl)piperazin-1-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[4-(3-aminophenyl)piperazin-1-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[[4-(3-aminophenyl)piperazine-1-carbonyl]amino]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[[[4-(3-aminophenyl)-1-piperazinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[4-(3-aminophenyl)piperazine-1-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[[4-(3-aminophenyl)piperazine-1-carbonyl]amino]-2-(benzyloxycarbonylamino)propionic acid Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)N)C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)N)C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O5/c23-17-7-4-8-18(13-17)26-9-11-27(12-10-26)21(30)24-14-19(20(28)29)25-22(31)32-15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15,23H2,(H,24,30)(H,25,31)(H,28,29)