methyl (2S)-2-[[azanyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]-methyl-amino]methylidene]amino]-3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]propanoate

Systemtic Name: methyl (2S)-2-[[azanyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]-methyl-amino]methylidene]amino]-3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]propanoate Openeye Name: methyl (2S)-2-[[amino-[2-(cyclohexylmethylcarbamoyl)-N-methyl-anilino]methylene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate CAS Name: (2S)-2-[[amino-[2-[(cyclohexylmethylamino)-oxomethyl]-N-methylanilino]methylidene]amino]-3-[4-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[amino-[2-(cyclohexylmethylcarbamoyl)-N-methylanilino]methylidene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate Traditional Name: (2S)-2-[[amino-[2-(cyclohexylmethylcarbamoyl)-N-methyl-anilino]methylene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propionic acid methyl ester Formula: C33H37Cl2N5O4 MolecularWeight: 638.58398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2CCCCC2)C(=NC(CC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)OC)N

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2CCCCC2)C(=N[C@@H](CC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)OC)N

InChI

InChI=1S/C33H37Cl2N5O4/c1-40(28-14-7-6-11-24(28)30(41)37-20-22-9-4-3-5-10-22)33(36)39-27(32(43)44-2)19-21-15-17-23(18-16-21)38-31(42)29-25(34)12-8-13-26(29)35/h6-8,11-18,22,27H,3-5,9-10,19-20H2,1-2H3,(H2,36,39)(H,37,41)(H,38,42)/t27-/m0/s1