tert-butyl N-[(2S)-4-methyl-1-[[(5R)-3-methyl-4-oxidanylidene-5H-2,3-benzodiazepin-5-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-4-methyl-1-[[(5R)-3-methyl-4-oxidanylidene-5H-2,3-benzodiazepin-5-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-3-methyl-1-[[(5R)-3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl]carbamoyl]butyl]carbamate CAS Name: N-[(2S)-4-methyl-1-[[(5R)-3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl]amino]-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-4-methyl-1-[[(5R)-3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl]amino]-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(5R)-4-keto-3-methyl-5H-2,3-benzodiazepin-5-yl]carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1C2=CC=CC=C2C=NN(C1=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H]1C2=CC=CC=C2C=NN(C1=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O4/c1-13(2)11-16(23-20(28)29-21(3,4)5)18(26)24-17-15-10-8-7-9-14(15)12-22-25(6)19(17)27/h7-10,12-13,16-17H,11H2,1-6H3,(H,23,28)(H,24,26)/t16-,17+/m0/s1