(2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[[(2S)-3-methyl-2-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[[(2S)-3-methyl-2-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[[(2S)-3-methyl-2-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]pentanoyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[[(2S)-3-methyl-2-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-1-oxopentyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[[(2S)-3-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-3-[[(2S)-3-methyl-2-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]pentanoyl]amino]propionic acid Formula: C36H42Cl2N6O8S MolecularWeight: 789.72508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)NC(=O)CC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCC(C)[C@@H](C(=O)NC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)NC(=O)CC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C36H42Cl2N6O8S/c1-4-21(2)32(43-31(45)16-23-11-13-26(14-12-23)40-36(50)42-28-9-6-5-8-22(28)3)34(47)39-20-29(35(48)49)41-33(46)30-10-7-15-44(30)53(51,52)27-18-24(37)17-25(38)19-27/h5-6,8-9,11-14,17-19,21,29-30,32H,4,7,10,15-16,20H2,1-3H3,(H,39,47)(H,41,46)(H,43,45)(H,48,49)(H2,40,42,50)/t21?,29-,30-,32-/m0/s1