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

Systemtic Name: methyl (2S)-2-[[(2R)-4-(4-dimethylaminophenyl)carbonyl-1-morpholin-4-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-(morpholine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-[[[(2R)-4-[(4-dimethylaminophenyl)-oxomethyl]-1-[4-morpholinyl(oxo)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-(morpholine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-(morpholine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C30H39N5O7 MolecularWeight: 581.65996

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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)C(=O)N4CCOCC4

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)C(=O)N4CCOCC4

InChI

InChI=1S/C30H39N5O7/c1-32(2)23-9-7-22(8-10-23)28(37)34-13-14-35(30(39)33-15-17-42-18-16-33)26(20-34)27(36)31-25(29(38)41-4)19-21-5-11-24(40-3)12-6-21/h5-12,25-26H,13-20H2,1-4H3,(H,31,36)/t25-,26+/m0/s1