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

Systemtic Name: 2-[2-[[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]hexanoic acid Openeye Name: 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(1-naphthylmethyl)amino]acetyl]amino]hexanoic acid CAS Name: 2-[[2-[[3-methyl-5-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]-(1-naphthalenylmethyl)amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]hexanoic acid Traditional Name: 2-[[2-[[5-[[(2S)-5-ketoprolyl]amino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]hexanoic acid Formula: C30H42N4O5 MolecularWeight: 538.67828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O5/c1-3-4-12-26(30(38)39)33-28(36)20-34(19-23-10-7-9-22-8-5-6-11-24(22)23)18-16-21(2)15-17-31-29(37)25-13-14-27(35)32-25/h5-11,21,25-26H,3-4,12-20H2,1-2H3,(H,31,37)(H,32,35)(H,33,36)(H,38,39)/t21?,25-,26?/m0/s1