methyl (2S)-4-methylsulfanyl-2-[2-[naphthalen-1-ylmethyl-[[1-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]cyclopentyl]methyl]amino]ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-[naphthalen-1-ylmethyl-[[1-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]cyclopentyl]methyl]amino]ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-[1-naphthylmethyl-[[1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]cyclopentyl]methyl]amino]acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[2-[1-naphthalenylmethyl-[[1-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]cyclopentyl]methyl]amino]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-[naphthalen-1-ylmethyl-[[1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]cyclopentyl]methyl]amino]acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-[[1-[[(2S)-5-ketoprolyl]amino]cyclopentyl]methyl-(1-naphthylmethyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C30H40N4O5S MolecularWeight: 568.7274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CN(CC1=CC=CC2=CC=CC=C21)CC3(CCCC3)NC(=O)C4CCC(=O)N4

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CN(CC1=CC=CC2=CC=CC=C21)CC3(CCCC3)NC(=O)[C@@H]4CCC(=O)N4

InChI

InChI=1S/C30H40N4O5S/c1-39-29(38)25(14-17-40-2)32-27(36)19-34(18-22-10-7-9-21-8-3-4-11-23(21)22)20-30(15-5-6-16-30)33-28(37)24-12-13-26(35)31-24/h3-4,7-11,24-25H,5-6,12-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,25-/m0/s1