ethyl (2S)-2-[2-[(3-cyclopentylphenyl)carbonylamino]ethanoylamino]pentanoate

Systemtic Name: ethyl (2S)-2-[2-[(3-cyclopentylphenyl)carbonylamino]ethanoylamino]pentanoate Openeye Name: ethyl (2S)-2-[[2-[(3-cyclopentylbenzoyl)amino]acetyl]amino]pentanoate CAS Name: (2S)-2-[[2-[[(3-cyclopentylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[2-[(3-cyclopentylbenzoyl)amino]acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-[(3-cyclopentylbenzoyl)amino]acetyl]amino]valeric acid ethyl ester Formula: C21H25N2O4 MolecularWeight: 369.4342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)NC(=O)CNC(=O)C1=CC=CC(=C1)[C]2[CH][CH][CH][CH]2

Isomeric SMILES

CCC[C@@H](C(=O)OCC)NC(=O)CNC(=O)C1=CC=CC(=C1)[C]2[CH][CH][CH][CH]2

InChI

InChI=1S/C21H25N2O4/c1-3-8-18(21(26)27-4-2)23-19(24)14-22-20(25)17-12-7-11-16(13-17)15-9-5-6-10-15/h5-7,9-13,18H,3-4,8,14H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1