methyl 3-[[3-[[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methylsulfanyl]propanoate

Systemtic Name: methyl 3-[[3-[[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methylsulfanyl]propanoate Openeye Name: methyl 3-[[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methylsulfanyl]propanoate CAS Name: 3-[[3-[[[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]phenyl]methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methylsulfanyl]propanoate Traditional Name: 3-[[3-[[(3R)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzyl]thio]propionic acid methyl ester Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)CSCCC(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)CSCCC(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O4S/c1-32-23-14-7-6-13-22(23)25(20-10-4-3-5-11-20)30-26(27(32)34)31-28(35)29-21-12-8-9-19(17-21)18-37-16-15-24(33)36-2/h3-14,17,26H,15-16,18H2,1-2H3,(H2,29,31,35)/t26-/m0/s1