2-[[4-oxidanyl-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-phenethylimidazol-4-yl)propanoic acid

Systemtic Name: 2-[[4-oxidanyl-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-phenethylimidazol-4-yl)propanoic acid Openeye Name: 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-(1-phenethylimidazol-4-yl)propanoic acid CAS Name: 2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-phenethyl-4-imidazolyl)propanoic acid IUPAC Name: 2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-phenethylimidazol-4-yl)propanoic acid Traditional Name: 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-(1-phenethylimidazol-4-yl)propionic acid Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(N=C2)CC(C(=O)O)NCCC(CO)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(N=C2)CC(C(=O)O)NCCC(CO)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N4O5/c31-17-22(29-26(34)35-18-21-9-5-2-6-10-21)11-13-27-24(25(32)33)15-23-16-30(19-28-23)14-12-20-7-3-1-4-8-20/h1-10,16,19,22,24,27,31H,11-15,17-18H2,(H,29,34)(H,32,33)