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

Systemtic Name: methyl 2-[2-[[3-methyl-5-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]ethanoyl-thiophen-2-yl-amino]propanoate Openeye Name: methyl 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(1-naphthylmethyl)amino]acetyl]-(2-thienyl)amino]propanoate 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 methyl ester IUPAC Name: methyl 2-[[2-[[3-methyl-5-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]-thiophen-2-ylamino]propanoate Traditional Name: 2-[[2-[[5-[[(2S)-5-ketoprolyl]amino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]-(2-thienyl)amino]propionic acid methyl ester Formula: C32H40N4O5S MolecularWeight: 592.7488

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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)OC

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)OC

InChI

InChI=1S/C32H40N4O5S/c1-22(15-17-33-31(39)27-13-14-28(37)34-27)16-18-35(20-25-10-6-9-24-8-4-5-11-26(24)25)21-29(38)36(23(2)32(40)41-3)30-12-7-19-42-30/h4-12,19,22-23,27H,13-18,20-21H2,1-3H3,(H,33,39)(H,34,37)/t22?,23?,27-/m0/s1