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

Systemtic Name: 2-[2-[[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]propanoic acid Openeye Name: 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(1-naphthylmethyl)amino]acetyl]amino]propanoic acid CAS Name: 2-[[2-[[3-methyl-5-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]-(1-naphthalenylmethyl)amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[[5-[[(2S)-5-ketoprolyl]amino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]propionic acid Formula: C27H36N4O5 MolecularWeight: 496.59854

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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(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O5/c1-18(12-14-28-26(34)23-10-11-24(32)30-23)13-15-31(17-25(33)29-19(2)27(35)36)16-21-8-5-7-20-6-3-4-9-22(20)21/h3-9,18-19,23H,10-17H2,1-2H3,(H,28,34)(H,29,33)(H,30,32)(H,35,36)/t18?,19?,23-/m0/s1