3-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-propanoyl-amino]-4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-yl-2-oxidanyl-butanoic acid

Systemtic Name: 3-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-propanoyl-amino]-4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-yl-2-oxidanyl-butanoic acid Openeye Name: 3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-propanoyl-amino]-2-(tert-butoxycarbonylamino)-4-cyclohexyl-2-hydroxy-3-(1-naphthyl)butanoic acid CAS Name: 3-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-(1-oxopropyl)amino]-4-cyclohexyl-2-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-naphthalenyl)butanoic acid IUPAC Name: 3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-propanoylamino]-4-cyclohexyl-2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylbutanoic acid Traditional Name: 3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-propionyl-amino]-2-(tert-butoxycarbonylamino)-4-cyclohexyl-2-hydroxy-3-(1-naphthyl)butyric acid Formula: C34H45N5O7 MolecularWeight: 635.7504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C(=O)C(CC1=CN=CN1)N)C(CC2CCCCC2)(C3=CC=CC4=CC=CC=C43)C(C(=O)O)(NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCC(=O)N(C(=O)C(CC1=CN=CN1)N)C(CC2CCCCC2)(C3=CC=CC4=CC=CC=C43)C(C(=O)O)(NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C34H45N5O7/c1-5-28(40)39(29(41)27(35)18-24-20-36-21-37-24)33(19-22-12-7-6-8-13-22,26-17-11-15-23-14-9-10-16-25(23)26)34(45,30(42)43)38-31(44)46-32(2,3)4/h9-11,14-17,20-22,27,45H,5-8,12-13,18-19,35H2,1-4H3,(H,36,37)(H,38,44)(H,42,43)