(2S)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-(4-piperazin-1-ylcarbonyloxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-(4-piperazin-1-ylcarbonyloxyphenyl)propanoic acid Openeye Name: (2S)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-[4-(piperazine-1-carbonyloxy)phenyl]propanoic acid CAS Name: (2S)-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-3-[4-[oxo(1-piperazinyl)methoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-[4-(piperazine-1-carbonyloxy)phenyl]propanoic acid Traditional Name: (2S)-2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-[4-(piperazine-1-carbonyloxy)phenyl]propionic acid Formula: C27H35N3O7 MolecularWeight: 513.5827

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC4=CC=C(C=C4)OC(=O)N5CCNCC5)C(=O)O

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)N[C@@H](CC4=CC=C(C=C4)OC(=O)N5CCNCC5)C(=O)O

InChI

InChI=1S/C27H35N3O7/c1-36-24(34)27-14-18-10-19(15-27)13-26(12-18,16-27)23(33)29-21(22(31)32)11-17-2-4-20(5-3-17)37-25(35)30-8-6-28-7-9-30/h2-5,18-19,21,28H,6-16H2,1H3,(H,29,33)(H,31,32)/t18?,19?,21-,26?,27?/m0/s1