[(3aS,4R,7aR)-6-[[3-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[2-(2-hydroxyethyloxy)ethenyl]benzoate

Systemtic Name: [(3aS,4R,7aR)-6-[[3-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[2-(2-hydroxyethyloxy)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[3-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]amino]-3-oxo-propyl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[2-(2-hydroxyethoxy)vinyl]benzoate CAS Name: 2-[2-(2-hydroxyethoxy)ethenyl]benzoic acid [(3aS,4R,7aR)-6-[[[3-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-3-oxopropyl]amino]-oxomethyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,7aR)-6-[[3-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-3-oxopropyl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 2-[2-(2-hydroxyethoxy)ethenyl]benzoate Traditional Name: 2-[2-(2-hydroxyethoxy)vinyl]benzoic acid [(3aS,4R,7aR)-6-[[3-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]amino]-3-keto-propyl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester Formula: C31H42N2O11 MolecularWeight: 618.67198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CO)NC(=O)CCNC(=O)C1=CC2C(C(C1)OC(=O)C3=CC=CC=C3C=COCCO)OCO2

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)CCNC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=COCCO)OCO2

InChI

InChI=1S/C31H42N2O11/c1-31(2,3)44-27(37)9-8-22(18-35)33-26(36)10-12-32-29(38)21-16-24-28(42-19-41-24)25(17-21)43-30(39)23-7-5-4-6-20(23)11-14-40-15-13-34/h4-7,11,14,16,22,24-25,28,34-35H,8-10,12-13,15,17-19H2,1-3H3,(H,32,38)(H,33,36)/t22-,24+,25+,28+/m0/s1