tert-butyl N-[(2S)-1-[5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pentylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pentylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[5-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]pentylamino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[5-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]pentylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentylamino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[5-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]pentylamino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C33H48N4O6 MolecularWeight: 596.75742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H48N4O6/c1-32(2,3)42-30(40)36-26(22-24-16-10-7-11-17-24)28(38)34-20-14-9-15-21-35-29(39)27(23-25-18-12-8-13-19-25)37-31(41)43-33(4,5)6/h7-8,10-13,16-19,26-27H,9,14-15,20-23H2,1-6H3,(H,34,38)(H,35,39)(H,36,40)(H,37,41)/t26-,27-/m0/s1