2-[3-[[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[3-[[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]sulfanylethanoic acid Openeye Name: 2-[3-[[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]sulfanylacetic acid CAS Name: 2-[[3-[[oxo-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]methyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[3-[[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]sulfanylacetic acid Traditional Name: 2-[[3-[[2-keto-1-(2-keto-2-pyrrolidino-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]thio]acetic acid Formula: C30H29N5O5S MolecularWeight: 571.64676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC(=CC=C4)SCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC(=CC=C4)SCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C30H29N5O5S/c36-25(34-15-6-7-16-34)18-35-24-14-5-4-13-23(24)27(20-9-2-1-3-10-20)32-28(29(35)39)33-30(40)31-21-11-8-12-22(17-21)41-19-26(37)38/h1-5,8-14,17,28H,6-7,15-16,18-19H2,(H,37,38)(H2,31,33,40)