methyl (2S)-2-[[(2R)-4-(4-dimethylaminophenyl)carbonyl-1-(phenylsulfonyl)piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-4-(4-dimethylaminophenyl)carbonyl-1-(phenylsulfonyl)piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2R)-1-(benzenesulfonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-[[[(2R)-1-(benzenesulfonyl)-4-[(4-dimethylaminophenyl)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-1-(benzenesulfonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-[[(2R)-1-besyl-4-[4-(dimethylamino)benzoyl]piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C31H36N4O7S MolecularWeight: 608.70514

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC3=CC=C(C=C3)OC)C(=O)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@H](C2)C(=O)N[C@@H](CC3=CC=C(C=C3)OC)C(=O)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4O7S/c1-33(2)24-14-12-23(13-15-24)30(37)34-18-19-35(43(39,40)26-8-6-5-7-9-26)28(21-34)29(36)32-27(31(38)42-4)20-22-10-16-25(41-3)17-11-22/h5-17,27-28H,18-21H2,1-4H3,(H,32,36)/t27-,28+/m0/s1