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

Systemtic Name: methyl 2-[2-[[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[[3-methyl-5-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]-(1-naphthalenylmethyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[[5-[[(2S)-5-ketoprolyl]amino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C30H42N4O5S MolecularWeight: 570.74328

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1CCC(=O)N1)CCN(CC2=CC=CC3=CC=CC=C32)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(CCNC(=O)[C@@H]1CCC(=O)N1)CCN(CC2=CC=CC3=CC=CC=C32)CC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C30H42N4O5S/c1-21(13-16-31-29(37)25-11-12-27(35)32-25)14-17-34(19-23-9-6-8-22-7-4-5-10-24(22)23)20-28(36)33-26(15-18-40-3)30(38)39-2/h4-10,21,25-26H,11-20H2,1-3H3,(H,31,37)(H,32,35)(H,33,36)/t21?,25-,26?/m0/s1