(2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[[1-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[[1-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[[1-[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[[[1-[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[[1-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-3-[[1-[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]prolyl]amino]propionic acid Formula: C35H38Cl2N6O8S MolecularWeight: 773.68262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCCC3C(=O)NCC(C(=O)O)NC(=O)C4CCCN4S(=O)(=O)C5=CC(=CC(=C5)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCCC3C(=O)NC[C@@H](C(=O)O)NC(=O)[C@@H]4CCCN4S(=O)(=O)C5=CC(=CC(=C5)Cl)Cl

InChI

InChI=1S/C35H38Cl2N6O8S/c1-21-6-2-3-7-27(21)41-35(49)39-25-12-10-22(11-13-25)16-31(44)42-14-4-8-29(42)32(45)38-20-28(34(47)48)40-33(46)30-9-5-15-43(30)52(50,51)26-18-23(36)17-24(37)19-26/h2-3,6-7,10-13,17-19,28-30H,4-5,8-9,14-16,20H2,1H3,(H,38,45)(H,40,46)(H,47,48)(H2,39,41,49)/t28-,29?,30-/m0/s1