3-[[2-[[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]amino]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-[[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]amino]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid Openeye Name: 3-[[2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]amino]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid CAS Name: 3-[[2-[[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propyl]amino]propanoic acid IUPAC Name: 3-[[2-[[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid Traditional Name: 3-[[2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-keto-1-(4-phenylbenzyl)ethyl]amino]-3-(4-phenylphenyl)propanoyl]amino]propionic acid Formula: C39H42N2O7 MolecularWeight: 650.75998

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)COC(=O)C(CC2=CC=C(C=C2)C3=CC=CC=C3)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)NCCC(=O)O)C

Isomeric SMILES

CC1(OCC(O1)COC(=O)C(CC2=CC=C(C=C2)C3=CC=CC=C3)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)NCCC(=O)O)C

InChI

InChI=1S/C39H42N2O7/c1-39(2)47-26-33(48-39)25-46-38(45)35(24-28-15-19-32(20-16-28)30-11-7-4-8-12-30)41-34(37(44)40-22-21-36(42)43)23-27-13-17-31(18-14-27)29-9-5-3-6-10-29/h3-20,33-35,41H,21-26H2,1-2H3,(H,40,44)(H,42,43)