(2S)-N-(1-methyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)-2-(2-thiophen-2-ylethanoylamino)propanamide

Systemtic Name: (2S)-N-(1-methyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)-2-(2-thiophen-2-ylethanoylamino)propanamide Openeye Name: (2S)-N-[1-methyl-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]-2-[[2-(2-thienyl)acetyl]amino]propanamide CAS Name: (2S)-N-[1-methyl-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]-2-[(1-oxo-2-thiophen-2-ylethyl)amino]propanamide IUPAC Name: (2S)-N-(1-methyl-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)-2-[(2-thiophen-2-ylacetyl)amino]propanamide Traditional Name: (2S)-N-[2-keto-1-methyl-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]-2-[[2-(2-thienyl)acetyl]amino]propionamide Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)C)NC(=O)CC4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)C)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C24H23N5O3S/c1-15(26-20(30)14-16-8-7-13-33-16)23(31)28-22-24(32)29(2)19-11-4-3-9-17(19)21(27-22)18-10-5-6-12-25-18/h3-13,15,22H,14H2,1-2H3,(H,26,30)(H,28,31)/t15-,22?/m0/s1