3-[[3-azanyl-5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-phenyl-2H-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide

Systemtic Name: 3-[[3-azanyl-5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-phenyl-2H-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide Openeye Name: 3-[[3-amino-5-[2-(tert-butylamino)-2-oxo-ethyl]-4-oxo-1-phenyl-2H-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide CAS Name: 3-[[[[3-amino-5-[2-(tert-butylamino)-2-oxoethyl]-4-oxo-1-phenyl-2H-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]-N-methylsulfonylbenzamide IUPAC Name: 3-[[3-amino-5-[2-(tert-butylamino)-2-oxoethyl]-4-oxo-1-phenyl-2H-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonylbenzamide Traditional Name: 3-[[3-amino-5-[2-(tert-butylamino)-2-keto-ethyl]-4-keto-1-phenyl-2H-1,5-benzodiazepin-3-yl]carbamoylamino]-N-mesyl-benzamide Formula: C30H35N7O6S MolecularWeight: 621.7072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C2=CC=CC=C2N(CC(C1=O)(N)NC(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)CN1C2=CC=CC=C2N(CC(C1=O)(N)NC(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C30H35N7O6S/c1-29(2,3)33-25(38)18-36-23-15-8-9-16-24(23)37(22-13-6-5-7-14-22)19-30(31,27(36)40)34-28(41)32-21-12-10-11-20(17-21)26(39)35-44(4,42)43/h5-17H,18-19,31H2,1-4H3,(H,33,38)(H,35,39)(H2,32,34,41)