tert-butyl N-[(2S,3R)-4-azanyl-3-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-4-azanyl-3-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-3-amino-1-benzyl-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-3-oxo-propyl]carbamate CAS Name: N-[(2S,3R)-4-amino-3-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-4-amino-3-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-3-amino-1-benzyl-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C21H34N4O4 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O4/c1-13(2)11-16(18(22)26)24-17(19(23)27)15(12-14-9-7-6-8-10-14)25-20(28)29-21(3,4)5/h6-10,13,15-17,24H,11-12H2,1-5H3,(H2,22,26)(H2,23,27)(H,25,28)/t15-,16-,17+/m0/s1