tert-butyl N-[3-[5-[[(2S)-4-azanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-butanoyl]amino]pentylamino]-3-oxidanylidene-propyl]-N-[4-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate

Systemtic Name: tert-butyl N-[3-[5-[[(2S)-4-azanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-butanoyl]amino]pentylamino]-3-oxidanylidene-propyl]-N-[4-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate Openeye Name: tert-butyl N-[3-[5-[[(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoyl]amino]pentylamino]-3-oxo-propyl]-N-[4-[3-azidopropyl(tert-butoxycarbonyl)amino]butyl]carbamate CAS Name: N-[3-[5-[[(2S)-4-amino-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1,4-dioxobutyl]amino]pentylamino]-3-oxopropyl]-N-[4-[3-azidopropyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[5-[[(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoyl]amino]pentylamino]-3-oxopropyl]-N-[4-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate Traditional Name: N-[3-[5-[[(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-butanoyl]amino]pentylamino]-3-keto-propyl]-N-[4-[3-azidopropyl(tert-butoxycarbonyl)amino]butyl]carbamic acid tert-butyl ester Formula: C44H65N9O9 MolecularWeight: 864.0418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCN(CCC(=O)NCCCCCNC(=O)C(CC(=O)N)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OC(C)(C)C)CCCN=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCN(CCC(=O)NCCCCCNC(=O)[C@H](CC(=O)N)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OC(C)(C)C)CCCN=[N+]=[N-]

InChI

InChI=1S/C44H65N9O9/c1-43(2,3)61-41(58)52(27-16-24-49-51-46)25-14-15-26-53(42(59)62-44(4,5)6)28-21-38(55)47-22-12-7-13-23-48-39(56)36(29-37(45)54)50-40(57)60-30-35-33-19-10-8-17-31(33)32-18-9-11-20-34(32)35/h8-11,17-20,35-36H,7,12-16,21-30H2,1-6H3,(H2,45,54)(H,47,55)(H,48,56)(H,50,57)/t36-/m0/s1