tert-butyl N-[(2S)-1-[[(2S)-4-azanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-4-azanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S)-3-amino-1-benzyl-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-3-amino-1-benzyl-3-keto-propyl]carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)CC(=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)CC(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O4/c1-14(2)11-17(24-20(27)28-21(3,4)5)19(26)23-16(13-18(22)25)12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H2,22,25)(H,23,26)(H,24,27)/t16-,17-/m0/s1