[[4-[(2S)-3-[(4-Acetylphenyl)Amino]-2-[[4-(Aminomethyl)Cyclohexanecarbonyl]Amino]-3-Oxopropyl]-2-Bromophenyl]-Phenylmethyl] Hydrogen Carbonate
[CAS# 109378-49-6]

Identification

• Name: [[4-[(2S)-3-[(4-Acetylphenyl)Amino]-2-[[4-(Aminomethyl)Cyclohexanecarbonyl]Amino]-3-Oxopropyl]-2-Bromophenyl]-Phenylmethyl] Hydrogen Carbonate
• Synonyms: [[4-[(2S)-3-[(4-Acetylphenyl)Amino]-2-[[4-(Aminomethyl)Cyclohexanecarbonyl]Amino]-3-Oxo-Propyl]-2-Bromo-Phenyl]-Phenyl-Methyl] Hydrogen Carbonate; [[4-[(2S)-3-[(4-Acetylphenyl)Amino]-2-[[[4-(Aminomethyl)Cyclohexyl]-Oxomethyl]Amino]-3-Oxopropyl]-2-Bromophenyl]-Phenylmethyl] Hydrogen Carbonate; [[4-[(2S)-3-[(4-Acetylphenyl)Amino]-2-[[4-(Aminomethyl)Cyclohexanecarbonyl]Amino]-3-Keto-Propyl]-2-Bromo-Phenyl]-Phenyl-Methyl] Hydrogen Carbonate
• Molecular Formula: C₃₃H₃₆BrN₃O₆
• Molecular Weight: 650.57
• CAS Registry Number: 109378-49-6
• SMILES: [C@H](NC(=O)C1CCC(CC1)CN)(CC2=CC(=C(C=C2)C(OC(O)=O)C3=CC=CC=C3)Br)C(=O)NC4=CC=C(C=C4)C(=O)C
• InChI: 1S/C33H36BrN3O6/c1-20(38)23-12-14-26(15-13-23)36-32(40)29(37-31(39)25-10-7-21(19-35)8-11-25)18-22-9-16-27(28(34)17-22)30(43-33(41)42)24-5-3-2-4-6-24/h2-6,9,12-17,21,25,29-30H,7-8,10-11,18-19,35H2,1H3,(H,36,40)(H,37,39)(H,41,42)/t21?,25?,29-,30?/m0/s1
• InChIKey: PNPVDEPWEIHHIX-HPHOSPIKSA-N