methyl 2-[[5-azanyl-6-cyclohexyl-2-(2-methylpropyl)-4-oxidanyl-hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl 2-[[5-azanyl-6-cyclohexyl-2-(2-methylpropyl)-4-oxidanyl-hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl 2-[(5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoyl)amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: 2-[[5-amino-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)-1-oxohexyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-[(5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoyl)amino]-6-(benzyloxycarbonylamino)hexanoic acid methyl ester Formula: C31H51N3O6 MolecularWeight: 561.75314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1CCCCC1)N)O)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)CC(CC(C(CC1CCCCC1)N)O)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C31H51N3O6/c1-22(2)18-25(20-28(35)26(32)19-23-12-6-4-7-13-23)29(36)34-27(30(37)39-3)16-10-11-17-33-31(38)40-21-24-14-8-5-9-15-24/h5,8-9,14-15,22-23,25-28,35H,4,6-7,10-13,16-21,32H2,1-3H3,(H,33,38)(H,34,36)