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

Systemtic Name: (2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-4-[2-[methyl-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]amino]ethanoylamino]butanoic acid Openeye Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-[[2-[methyl-[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]acetyl]amino]butanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-[[2-[methyl-[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-1-oxoethyl]amino]butanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-[[2-[methyl-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]amino]butanoic acid Traditional Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-4-[[2-[methyl-[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]acetyl]amino]butyric acid Formula: C34H38Cl2N6O8S MolecularWeight: 761.67192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N(C)CC(=O)NCCC(C(=O)O)NC(=O)C3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N(C)CC(=O)NCC[C@@H](C(=O)O)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C34H38Cl2N6O8S/c1-21-6-3-4-7-27(21)40-34(48)38-25-11-9-22(10-12-25)16-31(44)41(2)20-30(43)37-14-13-28(33(46)47)39-32(45)29-8-5-15-42(29)51(49,50)26-18-23(35)17-24(36)19-26/h3-4,6-7,9-12,17-19,28-29H,5,8,13-16,20H2,1-2H3,(H,37,43)(H,39,45)(H,46,47)(H2,38,40,48)/t28-,29-/m0/s1