(2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[[[4-[(2-methyl-1-imidazo[4,5-c]pyridinyl)methyl]-1-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-3-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]propionic acid Formula: C28H33Cl2N7O6S MolecularWeight: 666.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3CCN(CC3)C(=O)NCC(C(=O)O)NC(=O)C4CCCN4S(=O)(=O)C5=CC(=CC(=C5)Cl)Cl)C=CN=C2

Isomeric SMILES

CC1=NC2=C(N1CC3CCN(CC3)C(=O)NC[C@@H](C(=O)O)NC(=O)[C@@H]4CCCN4S(=O)(=O)C5=CC(=CC(=C5)Cl)Cl)C=CN=C2

InChI

InChI=1S/C28H33Cl2N7O6S/c1-17-33-22-14-31-7-4-24(22)36(17)16-18-5-9-35(10-6-18)28(41)32-15-23(27(39)40)34-26(38)25-3-2-8-37(25)44(42,43)21-12-19(29)11-20(30)13-21/h4,7,11-14,18,23,25H,2-3,5-6,8-10,15-16H2,1H3,(H,32,41)(H,34,38)(H,39,40)/t23-,25-/m0/s1