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

Systemtic Name: 2-[2-[[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]ethanoyl-thiophen-2-yl-amino]propanoic acid Openeye Name: 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(1-naphthylmethyl)amino]acetyl]-(2-thienyl)amino]propanoic acid CAS Name: 2-[[2-[[3-methyl-5-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]-(1-naphthalenylmethyl)amino]-1-oxoethyl]-thiophen-2-ylamino]propanoic acid IUPAC Name: 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]-thiophen-2-ylamino]propanoic acid Traditional Name: 2-[[2-[[5-[[(2S)-5-ketoprolyl]amino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]-(2-thienyl)amino]propionic acid Formula: C31H38N4O5S MolecularWeight: 578.72222

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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)N(C4=CC=CS4)C(C)C(=O)O

Isomeric SMILES

CC(CCNC(=O)[C@@H]1CCC(=O)N1)CCN(CC2=CC=CC3=CC=CC=C32)CC(=O)N(C4=CC=CS4)C(C)C(=O)O

InChI

InChI=1S/C31H38N4O5S/c1-21(14-16-32-30(38)26-12-13-27(36)33-26)15-17-34(19-24-9-5-8-23-7-3-4-10-25(23)24)20-28(37)35(22(2)31(39)40)29-11-6-18-41-29/h3-11,18,21-22,26H,12-17,19-20H2,1-2H3,(H,32,38)(H,33,36)(H,39,40)/t21?,22?,26-/m0/s1