methyl (2S)-3-[3-[[[(2S)-3-[3-[(2S)-3-[[3,5-bis[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]methylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-5-(phenylmethoxycarbonylaminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[3-[[[(2S)-3-[3-[(2S)-3-[[3,5-bis[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]methylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-5-(phenylmethoxycarbonylaminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-[3-[[[(2S)-3-[3-(benzyloxycarbonylaminomethyl)-5-[(2S)-3-[[3,5-bis[(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]phenyl]methylamino]-2-(tert-butoxycarbonylamino)-3-oxo-propyl]phenyl]-2-(tert-butoxycarbonylamino)propanoyl]amino]methyl]-5-[(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-[3-[[[(2S)-3-[3-[(2S)-3-[[3,5-bis[(2S)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]phenyl]methylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-5-(phenylmethoxycarbonylaminomethyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]methyl]-5-[(2S)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-[[[(2S)-3-[3-[(2S)-3-[[3,5-bis[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]methylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-5-(phenylmethoxycarbonylaminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-[3-[[[(2S)-3-[3-(benzyloxycarbonylaminomethyl)-5-[(2S)-3-[[3,5-bis[(2S)-2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propyl]benzyl]amino]-2-(tert-butoxycarbonylamino)-3-keto-propyl]phenyl]-2-(tert-butoxycarbonylamino)propanoyl]amino]methyl]-5-[(2S)-2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propyl]phenyl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C81H115N9O24 MolecularWeight: 1598.8257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=CC(=C1)CNC(=O)OCC2=CC=CC=C2)CC(C(=O)NCC3=CC(=CC(=C3)CC(C(=O)OC)NC(=O)OC(C)(C)C)CC(C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCC4=CC(=CC(=C4)CC(C(=O)OC)NC(=O)OC(C)(C)C)CC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC(=C1)CNC(=O)OCC2=CC=CC=C2)C[C@@H](C(=O)NCC3=CC(=CC(=C3)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCC4=CC(=CC(=C4)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C81H115N9O24/c1-76(2,3)109-70(98)85-57(63(91)82-43-54-33-50(39-59(65(93)104-19)87-72(100)111-78(7,8)9)29-51(34-54)40-60(66(94)105-20)88-73(101)112-79(10,11)12)37-48-28-49(32-56(31-48)45-84-69(97)108-46-47-26-24-23-25-27-47)38-58(86-71(99)110-77(4,5)6)64(92)83-44-55-35-52(41-61(67(95)106-21)89-74(102)113-80(13,14)15)30-53(36-55)42-62(68(96)107-22)90-75(103)114-81(16,17)18/h23-36,57-62H,37-46H2,1-22H3,(H,82,91)(H,83,92)(H,84,97)(H,85,98)(H,86,99)(H,87,100)(H,88,101)(H,89,102)(H,90,103)/t57-,58-,59-,60-,61-,62-/m0/s1