tert-butyl 3-[(2S)-3-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoyl]amino]-4-oxidanylidene-4-[(triphenylmethyl)amino]butanoyl]amino]-3-oxidanylidene-propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-3-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoyl]amino]-4-oxidanylidene-4-[(triphenylmethyl)amino]butanoyl]amino]-3-oxidanylidene-propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-3-[[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]amino]-3-oxo-propyl]indole-1-carboxylate CAS Name: 3-[(2S)-3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-(3-methyl-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-1,4-dioxo-4-[(triphenylmethyl)amino]butyl]amino]-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-3-oxopropyl]indole-1-carboxylate Traditional Name: 3-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-4-(tritylamino)butanoyl]amino]-3-keto-3-[[(1S)-2-keto-2-methoxy-1-methyl-ethyl]amino]propyl]indole-1-carboxylic acid tert-butyl ester Formula: C61H75N9O11 MolecularWeight: 1110.3019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CC4=CN(C5=CC=CC=C54)C(=O)OC(C)(C)C)C(=O)NC(C)C(=O)OC)NC(=O)C(CC6=CN=CN6C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C61H75N9O11/c1-38(2)31-46(64-54(74)48(33-44-35-62-37-69(44)10)67-57(77)80-59(4,5)6)53(73)66-49(34-51(71)68-61(41-23-15-12-16-24-41,42-25-17-13-18-26-42)43-27-19-14-20-28-43)55(75)65-47(52(72)63-39(3)56(76)79-11)32-40-36-70(58(78)81-60(7,8)9)50-30-22-21-29-45(40)50/h12-30,35-39,46-49H,31-34H2,1-11H3,(H,63,72)(H,64,74)(H,65,75)(H,66,73)(H,67,77)(H,68,71)/t39-,46-,47-,48-,49-/m0/s1