methyl 2-[(2-azanyl-3-methyl-pentanoyl)-(6-cyclohexyl-4-oxidanyl-2-propan-2-yl-hexanoyl)amino]-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 2-[(2-azanyl-3-methyl-pentanoyl)-(6-cyclohexyl-4-oxidanyl-2-propan-2-yl-hexanoyl)amino]-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-[(2-amino-3-methyl-pentanoyl)-(6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoyl)amino]-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[(2-amino-3-methyl-1-oxopentyl)-(6-cyclohexyl-4-hydroxy-1-oxo-2-propan-2-ylhexyl)amino]-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-methylpentanoyl)-(6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoyl)amino]-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-[(2-amino-3-methyl-pentanoyl)-(6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoyl)amino]-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid methyl ester Formula: C39H57N3O7 MolecularWeight: 679.88578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C(=O)C(CC(CCC1CCCCC1)O)C(C)C)C(CC2=CC=CC=C2)(C(=O)OC)NC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C)C(C(=O)N(C(=O)C(CC(CCC1CCCCC1)O)C(C)C)C(CC2=CC=CC=C2)(C(=O)OC)NC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C39H57N3O7/c1-6-28(4)34(40)36(45)42(35(44)33(27(2)3)24-32(43)23-22-29-16-10-7-11-17-29)39(37(46)48-5,25-30-18-12-8-13-19-30)41-38(47)49-26-31-20-14-9-15-21-31/h8-9,12-15,18-21,27-29,32-34,43H,6-7,10-11,16-17,22-26,40H2,1-5H3,(H,41,47)