tert-butyl 3-[(2S)-3-[[(1R,5R)-1-[3-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]-7,11-dioxaspiro[5.5]undecan-5-yl]amino]-2-[[(2S)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-oxidanylidene-propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-3-[[(1R,5R)-1-[3-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]-7,11-dioxaspiro[5.5]undecan-5-yl]amino]-2-[[(2S)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-oxidanylidene-propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1-tert-butoxycarbonylindol-3-yl)propanoyl]amino]-3-[[(1R,5R)-1-[3-[[(1S)-1-(1H-indol-3-ylmethyl)-2-[[(1S,2S)-1-methoxycarbonyl-2-methyl-butyl]amino]-2-oxo-ethyl]amino]-3-oxo-propyl]-7,11-dioxaspiro[5.5]undecan-5-yl]amino]-3-oxo-propyl]indole-1-carboxylate CAS Name: 3-[(2S)-3-[[(1R,5R)-1-[3-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-7,11-dioxaspiro[5.5]undecan-5-yl]amino]-2-[[(2S)-3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-3-[[(1R,5R)-1-[3-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-7,11-dioxaspiro[5.5]undecan-5-yl]amino]-2-[[(2S)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-oxopropyl]indole-1-carboxylate Traditional Name: 3-[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1-tert-butoxycarbonylindol-3-yl)propanoyl]amino]-3-[[(1R,5R)-1-[3-[[(1S)-2-[[(1S,2S)-1-carbomethoxy-2-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-3-keto-propyl]-7,11-dioxaspiro[5.5]undecan-5-yl]amino]-3-keto-propyl]indole-1-carboxylic acid tert-butyl ester Formula: C70H86N8O14 MolecularWeight: 1263.47704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC3CCCC(C34OCCCO4)NC(=O)C(CC5=CN(C6=CC=CC=C65)C(=O)OC(C)(C)C)NC(=O)C(CC7=CN(C8=CC=CC=C87)C(=O)OC(C)(C)C)NC(=O)OCC9=CC=CC=C9

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CC[C@H]3CCC[C@H](C34OCCCO4)NC(=O)[C@H](CC5=CN(C6=CC=CC=C65)C(=O)OC(C)(C)C)NC(=O)[C@H](CC7=CN(C8=CC=CC=C87)C(=O)OC(C)(C)C)NC(=O)OCC9=CC=CC=C9

InChI

InChI=1S/C70H86N8O14/c1-10-43(2)60(64(83)87-9)76-63(82)53(36-45-39-71-52-28-17-14-25-49(45)52)72-59(79)33-32-48-24-20-31-58(70(48)89-34-21-35-90-70)75-62(81)54(37-46-40-77(66(85)91-68(3,4)5)56-29-18-15-26-50(46)56)73-61(80)55(74-65(84)88-42-44-22-12-11-13-23-44)38-47-41-78(67(86)92-69(6,7)8)57-30-19-16-27-51(47)57/h11-19,22-23,25-30,39-41,43,48,53-55,58,60,71H,10,20-21,24,31-38,42H2,1-9H3,(H,72,79)(H,73,80)(H,74,84)(H,75,81)(H,76,82)/t43-,48+,53-,54-,55-,58+,60-/m0/s1