methyl 2-[2-[2,3-dihydro-1-benzofuran-7-ylmethyl-[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]amino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[2-[2,3-dihydro-1-benzofuran-7-ylmethyl-[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[2,3-dihydrobenzofuran-7-ylmethyl-[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[2,3-dihydrobenzofuran-7-ylmethyl-[3-methyl-5-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl-[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[coumaran-7-ylmethyl-[5-[[(2S)-5-ketoprolyl]amino]-3-methyl-pentyl]amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C28H42N4O6S MolecularWeight: 562.72128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1CCC(=O)N1)CCN(CC2=CC=CC3=C2OCC3)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(CCNC(=O)[C@@H]1CCC(=O)N1)CCN(CC2=CC=CC3=C2OCC3)CC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C28H42N4O6S/c1-19(9-13-29-27(35)22-7-8-24(33)30-22)10-14-32(17-21-6-4-5-20-11-15-38-26(20)21)18-25(34)31-23(12-16-39-3)28(36)37-2/h4-6,19,22-23H,7-18H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)/t19?,22-,23?/m0/s1