hexyl 4-[[[(2S)-2-(6-azanylhexanoylamino)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]propanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: hexyl 4-[[[(2S)-2-(6-azanylhexanoylamino)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]propanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: hexyl 4-[[[(2S)-2-(6-aminohexanoylamino)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]propanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-2-[(6-amino-1-oxohexyl)amino]-3-[4-[(2-bromophenyl)methoxy-oxomethoxy]phenyl]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid hexyl ester IUPAC Name: hexyl 4-[[[(2S)-2-(6-aminohexanoylamino)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]propanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-2-(6-aminohexanoylamino)-3-[4-(2-bromobenzyl)oxycarbonyloxyphenyl]propanoyl]amino]methyl]cyclohexanecarboxylic acid hexyl ester Formula: C37H52BrN3O7 MolecularWeight: 730.72868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1CCC(CC1)CNC(=O)C(CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)NC(=O)CCCCCN

Isomeric SMILES

CCCCCCOC(=O)C1CCC(CC1)CNC(=O)[C@H](CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)NC(=O)CCCCCN

InChI

InChI=1S/C37H52BrN3O7/c1-2-3-4-10-23-46-36(44)29-18-14-28(15-19-29)25-40-35(43)33(41-34(42)13-6-5-9-22-39)24-27-16-20-31(21-17-27)48-37(45)47-26-30-11-7-8-12-32(30)38/h7-8,11-12,16-17,20-21,28-29,33H,2-6,9-10,13-15,18-19,22-26,39H2,1H3,(H,40,43)(H,41,42)/t28?,29?,33-/m0/s1