(2S)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide

Systemtic Name: (2S)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide Openeye Name: (2S)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-[2-(2-thienyl)ethylcarbamoylamino]propanamide CAS Name: (2S)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]propanamide IUPAC Name: (2S)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide Traditional Name: (2S)-N-[(3S)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-[2-(2-thienyl)ethylcarbamoylamino]propionamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)NCCC4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)N[C@@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C26H27N5O3S/c1-17(28-26(34)27-15-14-19-11-8-16-35-19)24(32)30-23-25(33)31(2)21-13-7-6-12-20(21)22(29-23)18-9-4-3-5-10-18/h3-13,16-17,23H,14-15H2,1-2H3,(H,30,32)(H2,27,28,34)/t17-,23+/m0/s1