(2S)-4-methyl-N-(3-methyl-4-oxidanylidene-5H-2,3-benzodiazepin-5-yl)-2-(2-thiophen-3-ylethanoylamino)pentanamide

Systemtic Name: (2S)-4-methyl-N-(3-methyl-4-oxidanylidene-5H-2,3-benzodiazepin-5-yl)-2-(2-thiophen-3-ylethanoylamino)pentanamide Openeye Name: (2S)-4-methyl-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)-2-[[2-(3-thienyl)acetyl]amino]pentanamide CAS Name: (2S)-4-methyl-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)-2-[[1-oxo-2-(3-thiophenyl)ethyl]amino]pentanamide IUPAC Name: (2S)-4-methyl-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)-2-[(2-thiophen-3-ylacetyl)amino]pentanamide Traditional Name: (2S)-N-(4-keto-3-methyl-5H-2,3-benzodiazepin-5-yl)-4-methyl-2-[[2-(3-thienyl)acetyl]amino]valeramide Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1C2=CC=CC=C2C=NN(C1=O)C)NC(=O)CC3=CSC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1C2=CC=CC=C2C=NN(C1=O)C)NC(=O)CC3=CSC=C3

InChI

InChI=1S/C22H26N4O3S/c1-14(2)10-18(24-19(27)11-15-8-9-30-13-15)21(28)25-20-17-7-5-4-6-16(17)12-23-26(3)22(20)29/h4-9,12-14,18,20H,10-11H2,1-3H3,(H,24,27)(H,25,28)/t18-,20?/m0/s1