tert-butyl N-[3-[5-[[(2S)-4-azanyl-2-[2-(1H-indol-3-yl)ethanoylamino]-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-[2-(1H-indol-3-yl)ethanoylamino]-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-[[2-(1H-indol-3-yl)acetyl]amino]-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-[[2-(1H-indol-3-yl)-1-oxoethyl]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-[[2-(1H-indol-3-yl)acetyl]amino]-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-[[2-(1H-indol-3-yl)acetyl]amino]-4-keto-butanoyl]amino]pentylamino]-3-keto-propyl]-N-[4-[3-azidopropyl(tert-butoxycarbonyl)amino]butyl]carbamic acid tert-butyl ester Formula: C39H62N10O8 MolecularWeight: 798.97178

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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)CC1=CNC2=CC=CC=C21)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)CC1=CNC2=CC=CC=C21)C(=O)OC(C)(C)C)CCCN=[N+]=[N-]

InChI

InChI=1S/C39H62N10O8/c1-38(2,3)56-36(54)48(23-14-20-45-47-41)21-12-13-22-49(37(55)57-39(4,5)6)24-17-33(51)42-18-10-7-11-19-43-35(53)31(26-32(40)50)46-34(52)25-28-27-44-30-16-9-8-15-29(28)30/h8-9,15-16,27,31,44H,7,10-14,17-26H2,1-6H3,(H2,40,50)(H,42,51)(H,43,53)(H,46,52)/t31-/m0/s1