4-azanyl-3,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(6-phenylhexanoyl)amino]-3-oxidanyl-2-(phenylmethyl)pentanoic acid

Systemtic Name: 4-azanyl-3,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(6-phenylhexanoyl)amino]-3-oxidanyl-2-(phenylmethyl)pentanoic acid Openeye Name: 4-amino-2-benzyl-2-[tert-butoxycarbonyl(6-phenylhexanoyl)amino]-3-hydroxy-3,4-dimethyl-pentanoic acid CAS Name: 4-amino-3-hydroxy-3,4-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(1-oxo-6-phenylhexyl)amino]-2-(phenylmethyl)pentanoic acid IUPAC Name: 4-amino-2-benzyl-3-hydroxy-3,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(6-phenylhexanoyl)amino]pentanoic acid Traditional Name: 4-amino-2-benzyl-2-[tert-butoxycarbonyl(6-phenylhexanoyl)amino]-3-hydroxy-3,4-dimethyl-valeric acid Formula: C31H44N2O6 MolecularWeight: 540.69086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(=O)CCCCCC1=CC=CC=C1)C(CC2=CC=CC=C2)(C(=O)O)C(C)(C(C)(C)N)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C(=O)CCCCCC1=CC=CC=C1)C(CC2=CC=CC=C2)(C(=O)O)C(C)(C(C)(C)N)O

InChI

InChI=1S/C31H44N2O6/c1-28(2,3)39-27(37)33(25(34)21-15-9-12-18-23-16-10-7-11-17-23)31(26(35)36,30(6,38)29(4,5)32)22-24-19-13-8-14-20-24/h7-8,10-11,13-14,16-17,19-20,38H,9,12,15,18,21-22,32H2,1-6H3,(H,35,36)