2-[2-[(2,3-dimethylphenyl)methyl-[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]amino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[(2,3-dimethylphenyl)methyl-[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[(2,3-dimethylphenyl)methyl-[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(2,3-dimethylphenyl)methyl-[3-methyl-5-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[(2,3-dimethylphenyl)methyl-[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[(2,3-dimethylbenzyl)-[5-[[(2S)-5-ketoprolyl]amino]-3-methyl-pentyl]amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C27H42N4O5S MolecularWeight: 534.71118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CN(CCC(C)CCNC(=O)C2CCC(=O)N2)CC(=O)NC(CCSC)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)CN(CCC(C)CCNC(=O)[C@@H]2CCC(=O)N2)CC(=O)NC(CCSC)C(=O)O)C

InChI

InChI=1S/C27H42N4O5S/c1-18(10-13-28-26(34)22-8-9-24(32)29-22)11-14-31(16-21-7-5-6-19(2)20(21)3)17-25(33)30-23(27(35)36)12-15-37-4/h5-7,18,22-23H,8-17H2,1-4H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18?,22-,23?/m0/s1