2-(3-cyclohexyl-1-oxidanyl-propyl)-5-(4H-imidazol-4-yl)-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-(3-cyclohexyl-1-oxidanyl-propyl)-5-(4H-imidazol-4-yl)-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-2-(3-cyclohexyl-1-hydroxy-propyl)-5-(4H-imidazol-4-yl)-3-oxo-pentanoic acid CAS Name: 2-(3-cyclohexyl-1-hydroxypropyl)-5-(4H-imidazol-4-yl)-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-oxopentanoic acid IUPAC Name: 2-(3-cyclohexyl-1-hydroxypropyl)-5-(4H-imidazol-4-yl)-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-oxopentanoic acid Traditional Name: 4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-2-(3-cyclohexyl-1-hydroxy-propyl)-5-(4H-imidazol-4-yl)-3-keto-valeric acid Formula: C31H44N4O7 MolecularWeight: 584.70366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2C=NC=N2)C(=O)C(C(CCC3CCCCC3)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2C=NC=N2)C(=O)C(C(CCC3CCCCC3)O)C(=O)O

InChI

InChI=1S/C31H44N4O7/c1-31(2,3)42-30(41)35-24(16-21-12-8-5-9-13-21)28(38)34-23(17-22-18-32-19-33-22)27(37)26(29(39)40)25(36)15-14-20-10-6-4-7-11-20/h5,8-9,12-13,18-20,22-26,36H,4,6-7,10-11,14-17H2,1-3H3,(H,34,38)(H,35,41)(H,39,40)