2-[[4-oxidanyl-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-propylimidazol-4-yl)propanoate

Systemtic Name: 2-[[4-oxidanyl-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-propylimidazol-4-yl)propanoate Openeye Name: 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-(1-propylimidazol-4-yl)propanoate CAS Name: 2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-propyl-4-imidazolyl)propanoate IUPAC Name: 2-[[4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]amino]-3-(1-propylimidazol-4-yl)propanoate Traditional Name: 2-[[3-(benzyloxycarbonylamino)-4-hydroxy-butyl]amino]-3-(1-propylimidazol-4-yl)propionate Formula: C21H29N4O5- MolecularWeight: 417.47876

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CC(C(=O)[O-])NCCC(CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCN1C=C(N=C1)CC(C(=O)[O-])NCCC(CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30N4O5/c1-2-10-25-12-18(23-15-25)11-19(20(27)28)22-9-8-17(13-26)24-21(29)30-14-16-6-4-3-5-7-16/h3-7,12,15,17,19,22,26H,2,8-11,13-14H2,1H3,(H,24,29)(H,27,28)/p-1