tert-butyl 3-[(2R)-3-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[2-methyl-2-[[(2R)-1-[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-oxidanylidene-propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2R)-3-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[2-methyl-2-[[(2R)-1-[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-oxidanylidene-propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2R)-3-[[(1R)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-2-[[2-[[(2R)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-2-methyl-propanoyl]amino]-3-oxo-propyl]indole-1-carboxylate CAS Name: 3-[(2R)-3-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-[[2-methyl-2-[[[(2R)-1-[(2S)-3-(3-methyl-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2R)-3-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-[[2-methyl-2-[[(2R)-1-[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-oxopropyl]indole-1-carboxylate Traditional Name: 3-[(2R)-3-[[(1R)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-2-[[2-[[(2R)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoyl]prolyl]amino]-2-methyl-propanoyl]amino]-3-keto-propyl]indole-1-carboxylic acid tert-butyl ester Formula: C47H62N8O10 MolecularWeight: 899.04278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1C)C(=O)N2CCCC2C(=O)NC(C)(C)C(=O)NC(CC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C)C(=O)NC(CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1C)C(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C(=O)N[C@H](CC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C)C(=O)N[C@H](CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C47H62N8O10/c1-45(2,3)64-43(61)51-34(25-31-26-48-28-53(31)9)40(58)54-22-16-21-37(54)39(57)52-47(7,8)42(60)50-33(38(56)49-35(41(59)63-10)23-29-17-12-11-13-18-29)24-30-27-55(44(62)65-46(4,5)6)36-20-15-14-19-32(30)36/h11-15,17-20,26-28,33-35,37H,16,21-25H2,1-10H3,(H,49,56)(H,50,60)(H,51,61)(H,52,57)/t33-,34+,35-,37-/m1/s1