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

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-[3-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propylamino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[3-[[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]propylamino]-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-[[(2S)-1-[3-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propylamino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C49H62N6O8 MolecularWeight: 863.05198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCCNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C49H62N6O8/c1-48(2,3)62-46(60)54-40(32-36-24-15-9-16-25-36)44(58)52-38(30-34-20-11-7-12-21-34)42(56)50-28-19-29-51-43(57)39(31-35-22-13-8-14-23-35)53-45(59)41(33-37-26-17-10-18-27-37)55-47(61)63-49(4,5)6/h7-18,20-27,38-41H,19,28-33H2,1-6H3,(H,50,56)(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,61)/t38-,39-,40-,41-/m0/s1