tert-butyl N-[(2S)-1-[[(2R)-1-(7-azidoheptylamino)-2-methyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2R)-1-(7-azidoheptylamino)-2-methyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1R)-2-(7-azidoheptylamino)-1-benzyl-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2R)-1-(7-azidoheptylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2R)-1-(7-azidoheptylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1R)-2-(7-azidoheptylamino)-1-benzyl-2-keto-1-methyl-ethyl]amino]-1-benzyl-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C31H44N6O4 MolecularWeight: 564.71886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)(CC2=CC=CC=C2)C(=O)NCCCCCCCN=[N+]=[N-]

Isomeric SMILES

C[C@@](CC1=CC=CC=C1)(C(=O)NCCCCCCCN=[N+]=[N-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H44N6O4/c1-30(2,3)41-29(40)35-26(22-24-16-10-8-11-17-24)27(38)36-31(4,23-25-18-12-9-13-19-25)28(39)33-20-14-6-5-7-15-21-34-37-32/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,33,39)(H,35,40)(H,36,38)/t26-,31+/m0/s1