tert-butyl 3-[(2S)-3-[[(2S)-1-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-[1-(phenylmethyl)imidazol-4-yl]propan-2-yl]amino]-2-[[(2R,3R)-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-oxidanylidene-propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-3-[[(2S)-1-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-[1-(phenylmethyl)imidazol-4-yl]propan-2-yl]amino]-2-[[(2R,3R)-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-oxidanylidene-propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-3-[[(1S)-1-[(1-benzylimidazol-4-yl)methyl]-2-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-[[(2R,3R)-3-tert-butoxy-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]butanoyl]amino]-3-oxo-propyl]indole-1-carboxylate CAS Name: 3-[(2S)-3-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-[1-(phenylmethyl)-4-imidazolyl]propan-2-yl]amino]-2-[[(2R,3R)-2-[[(2S)-3-(3-methyl-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutyl]amino]-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-3-[[(2S)-3-(1-benzylimidazol-4-yl)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[[(2R,3R)-2-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-oxopropyl]indole-1-carboxylate Traditional Name: 3-[(2S)-3-[[(1S)-1-[(1-benzylimidazol-4-yl)methyl]-2-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl]amino]-2-[[(2R,3R)-3-tert-butoxy-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]butanoyl]amino]-3-keto-propyl]indole-1-carboxylic acid tert-butyl ester Formula: C59H76N10O11 MolecularWeight: 1101.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)C(=O)NC(CC3=CN(C=N3)CC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)OC)NC(=O)C(CC6=CN=CN6C)NC(=O)OC(C)(C)C)OC(C)(C)C

Isomeric SMILES

C[C@H]([C@H](C(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)C(=O)N[C@@H](CC3=CN(C=N3)CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)NC(=O)[C@H](CC6=CN=CN6C)NC(=O)OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/C59H76N10O11/c1-37(78-57(2,3)4)49(66-52(72)46(30-42-31-60-35-67(42)11)65-55(75)79-58(5,6)7)53(73)63-44(28-40-33-69(56(76)80-59(8,9)10)48-26-20-19-25-43(40)48)50(70)62-45(29-41-34-68(36-61-41)32-39-23-17-14-18-24-39)51(71)64-47(54(74)77-12)27-38-21-15-13-16-22-38/h13-26,31,33-37,44-47,49H,27-30,32H2,1-12H3,(H,62,70)(H,63,73)(H,64,71)(H,65,75)(H,66,72)/t37-,44+,45+,46+,47+,49-/m1/s1