(2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-5-[4-[[(4-methylpiperazin-1-yl)carbonylamino]methyl]piperidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-5-[4-[[(4-methylpiperazin-1-yl)carbonylamino]methyl]piperidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-[4-[[(4-methylpiperazine-1-carbonyl)amino]methyl]-1-piperidyl]-5-oxo-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-[4-[[[(4-methyl-1-piperazinyl)-oxomethyl]amino]methyl]-1-piperidinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-[4-[[(4-methylpiperazine-1-carbonyl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-5-keto-5-[4-[[(4-methylpiperazine-1-carbonyl)amino]methyl]piperidino]valeric acid Formula: C28H40Cl2N6O7S MolecularWeight: 675.6242

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NCC2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)NCC2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C28H40Cl2N6O7S/c1-33-11-13-35(14-12-33)28(41)31-18-19-6-9-34(10-7-19)25(37)5-4-23(27(39)40)32-26(38)24-3-2-8-36(24)44(42,43)22-16-20(29)15-21(30)17-22/h15-17,19,23-24H,2-14,18H2,1H3,(H,31,41)(H,32,38)(H,39,40)/t23-,24-/m0/s1