tert-butyl (8S)-9-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-cyclohexyloxy-1,4-bis(oxidanylidene)butan-2-yl]amino]-8-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-9-oxidanylidene-nonanoate

Systemtic Name: tert-butyl (8S)-9-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-cyclohexyloxy-1,4-bis(oxidanylidene)butan-2-yl]amino]-8-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-9-oxidanylidene-nonanoate Openeye Name: tert-butyl (8S)-9-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-(cyclohexoxy)-3-oxo-propyl]amino]-8-[[(2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-9-oxo-nonanoate CAS Name: (8S)-9-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-cyclohexyloxy-1,4-dioxobutan-2-yl]amino]-8-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-9-oxononanoic acid tert-butyl ester IUPAC Name: tert-butyl (8S)-9-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-cyclohexyloxy-1,4-dioxobutan-2-yl]amino]-8-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-9-oxononanoate Traditional Name: (8S)-9-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-(cyclohexoxy)-3-keto-propyl]amino]-8-[[(2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-9-keto-pelargonic acid tert-butyl ester Formula: C49H70N6O10 MolecularWeight: 903.1143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCC(C(=O)NC(CC(=O)OC1CCCCC1)C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C(C)(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)N[C@@H](CCCCCCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)OC3CCCCC3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C49H70N6O10/c1-47(2,3)64-40(56)27-17-9-8-16-26-37(54-45(61)49(7,55-46(62)65-48(4,5)6)30-33-31-51-36-25-19-18-24-35(33)36)43(59)53-39(29-41(57)63-34-22-14-11-15-23-34)44(60)52-38(42(50)58)28-32-20-12-10-13-21-32/h10,12-13,18-21,24-25,31,34,37-39,51H,8-9,11,14-17,22-23,26-30H2,1-7H3,(H2,50,58)(H,52,60)(H,53,59)(H,54,61)(H,55,62)/t37-,38-,39-,49+/m0/s1