(2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-5-[4-[(morpholin-4-ylcarbonylamino)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-[(morpholin-4-ylcarbonylamino)methyl]piperidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-[4-[(morpholine-4-carbonylamino)methyl]-1-piperidyl]-5-oxo-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-[4-[[[4-morpholinyl(oxo)methyl]amino]methyl]-1-piperidinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-[4-[(morpholine-4-carbonylamino)methyl]piperidin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-5-keto-5-[4-[(morpholine-4-carbonylamino)methyl]piperidino]valeric acid Formula: C27H37Cl2N5O8S MolecularWeight: 662.58238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CCC(=O)N3CCC(CC3)CNC(=O)N4CCOCC4)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)N[C@@H](CCC(=O)N3CCC(CC3)CNC(=O)N4CCOCC4)C(=O)O

InChI

InChI=1S/C27H37Cl2N5O8S/c28-19-14-20(29)16-21(15-19)43(40,41)34-7-1-2-23(34)25(36)31-22(26(37)38)3-4-24(35)32-8-5-18(6-9-32)17-30-27(39)33-10-12-42-13-11-33/h14-16,18,22-23H,1-13,17H2,(H,30,39)(H,31,36)(H,37,38)/t22-,23-/m0/s1