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

Systemtic Name: methyl 2-[2-[[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(1-naphthylmethyl)amino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[3-methyl-5-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]-(1-naphthalenylmethyl)amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[[5-[[(2S)-5-ketoprolyl]amino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]hexanoic acid methyl ester Formula: C31H44N4O5 MolecularWeight: 552.70486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CN(CCC(C)CCNC(=O)C1CCC(=O)N1)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C31H44N4O5/c1-4-5-13-27(31(39)40-3)34-29(37)21-35(20-24-11-8-10-23-9-6-7-12-25(23)24)19-17-22(2)16-18-32-30(38)26-14-15-28(36)33-26/h6-12,22,26-27H,4-5,13-21H2,1-3H3,(H,32,38)(H,33,36)(H,34,37)/t22?,26-,27?/m0/s1