4-[[2-[(2-azanyl-3-phenyl-propanoyl)-pyrazol-1-yl-amino]-2-methyl-3-oxidanylidene-3-phenylmethoxy-propanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid

Systemtic Name: 4-[[2-[(2-azanyl-3-phenyl-propanoyl)-pyrazol-1-yl-amino]-2-methyl-3-oxidanylidene-3-phenylmethoxy-propanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid Openeye Name: 4-[[2-[(2-amino-3-phenyl-propanoyl)-pyrazol-1-yl-amino]-3-benzyloxy-2-methyl-3-oxo-propanoyl]amino]-5-cyclohexyl-3-hydroxy-pentanoic acid CAS Name: 4-[[2-[(2-amino-1-oxo-3-phenylpropyl)-(1-pyrazolyl)amino]-2-methyl-1,3-dioxo-3-phenylmethoxypropyl]amino]-5-cyclohexyl-3-hydroxypentanoic acid IUPAC Name: 4-[[2-[(2-amino-3-phenylpropanoyl)-pyrazol-1-ylamino]-2-methyl-3-oxo-3-phenylmethoxypropanoyl]amino]-5-cyclohexyl-3-hydroxypentanoic acid Traditional Name: 4-[[3-benzoxy-3-keto-2-methyl-2-[phenylalanyl(pyrazol-1-yl)amino]propanoyl]amino]-5-cyclohexyl-3-hydroxy-valeric acid Formula: C34H43N5O7 MolecularWeight: 633.73452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1CCCCC1)C(CC(=O)O)O)(C(=O)OCC2=CC=CC=C2)N(C(=O)C(CC3=CC=CC=C3)N)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC(CC1CCCCC1)C(CC(=O)O)O)(C(=O)OCC2=CC=CC=C2)N(C(=O)C(CC3=CC=CC=C3)N)N4C=CC=N4

InChI

InChI=1S/C34H43N5O7/c1-34(33(45)46-23-26-16-9-4-10-17-26,32(44)37-28(29(40)22-30(41)42)21-25-14-7-3-8-15-25)39(38-19-11-18-36-38)31(43)27(35)20-24-12-5-2-6-13-24/h2,4-6,9-13,16-19,25,27-29,40H,3,7-8,14-15,20-23,35H2,1H3,(H,37,44)(H,41,42)