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

Systemtic Name: methyl 2-acetamido-2-[(2-azanyl-3-methyl-pentanoyl)-(6-cyclohexyl-4-oxidanyl-2-propan-2-yl-hexanoyl)amino]-3-phenyl-propanoate Openeye Name: methyl 2-acetamido-2-[(2-amino-3-methyl-pentanoyl)-(6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoyl)amino]-3-phenyl-propanoate CAS Name: 2-acetamido-2-[(2-amino-3-methyl-1-oxopentyl)-(6-cyclohexyl-4-hydroxy-1-oxo-2-propan-2-ylhexyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-acetamido-2-[(2-amino-3-methylpentanoyl)-(6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoyl)amino]-3-phenylpropanoate Traditional Name: 2-acetamido-2-[(2-amino-3-methyl-pentanoyl)-(6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C33H53N3O6 MolecularWeight: 587.79042

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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)C)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)C)N

InChI

InChI=1S/C33H53N3O6/c1-7-23(4)29(34)31(40)36(33(32(41)42-6,35-24(5)37)21-26-16-12-9-13-17-26)30(39)28(22(2)3)20-27(38)19-18-25-14-10-8-11-15-25/h9,12-13,16-17,22-23,25,27-29,38H,7-8,10-11,14-15,18-21,34H2,1-6H3,(H,35,37)