(2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-5-[4-[(2-methylpropoxycarbonylamino)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-[(2-methylpropoxycarbonylamino)methyl]piperidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-[4-[(isobutoxycarbonylamino)methyl]-1-piperidyl]-5-oxo-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-[4-[[[2-methylpropoxy(oxo)methyl]amino]methyl]-1-piperidinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-[4-[(2-methylpropoxycarbonylamino)methyl]piperidin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-5-[4-[(isobutoxycarbonylamino)methyl]piperidino]-5-keto-valeric acid Formula: C27H38Cl2N4O8S MolecularWeight: 649.58362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NCC1CCN(CC1)C(=O)CCC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)COC(=O)NCC1CCN(CC1)C(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C27H38Cl2N4O8S/c1-17(2)16-41-27(38)30-15-18-7-10-32(11-8-18)24(34)6-5-22(26(36)37)31-25(35)23-4-3-9-33(23)42(39,40)21-13-19(28)12-20(29)14-21/h12-14,17-18,22-23H,3-11,15-16H2,1-2H3,(H,30,38)(H,31,35)(H,36,37)/t22-,23-/m0/s1