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

Systemtic Name: 2-[2-[[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(1-naphthylmethyl)amino]acetyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[2-[[3-methyl-5-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]-(1-naphthalenylmethyl)amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-[[5-[[(2S)-5-ketoprolyl]amino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]propionic acid Formula: C27H36N4O6 MolecularWeight: 512.59794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O6/c1-18(11-13-28-26(35)22-9-10-24(33)29-22)12-14-31(16-25(34)30-23(17-32)27(36)37)15-20-7-4-6-19-5-2-3-8-21(19)20/h2-8,18,22-23,32H,9-17H2,1H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18?,22-,23?/m0/s1