[4-[[(2S)-5-(aminocarbonylamino)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] carbonate

Systemtic Name: [4-[[(2S)-5-(aminocarbonylamino)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] carbonate Openeye Name: [4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-ureido-pentanoyl]amino]phenyl]methyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenyl] carbonate CAS Name: carbonic acid [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopentyl]amino]phenyl]methyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] ester IUPAC Name: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] carbonate Traditional Name: carbonic acid [4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-ureido-pentanoyl]amino]benzyl] [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenyl] ester Formula: C45H53N5O12 MolecularWeight: 855.92862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=C(C=CC(=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=C(C=CC(=C2)/C=C\C3=CC(=C(C(=C3)OC)OC)OC)OC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C45H53N5O12/c1-28(2)39(50-44(54)60-26-30-11-8-7-9-12-30)42(52)49-34(13-10-22-47-43(46)53)41(51)48-33-19-16-31(17-20-33)27-61-45(55)62-36-23-29(18-21-35(36)56-3)14-15-32-24-37(57-4)40(59-6)38(25-32)58-5/h7-9,11-12,14-21,23-25,28,34,39H,10,13,22,26-27H2,1-6H3,(H,48,51)(H,49,52)(H,50,54)(H3,46,47,53)/b15-14-/t34-,39-/m0/s1