[4-(nitrooxymethyl)phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoyl]amino]propanoate

Systemtic Name: [4-(nitrooxymethyl)phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoyl]amino]propanoate Openeye Name: [4-(nitrooxymethyl)phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenyl-pentyl]cyclopentyl]hept-5-enoyl]amino]propanoate CAS Name: 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-1-oxohept-5-enyl]amino]propanoic acid [4-(nitrooxymethyl)phenyl] ester IUPAC Name: [4-(nitrooxymethyl)phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoyl]amino]propanoate Traditional Name: 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenyl-pentyl]cyclopentyl]hept-5-enoyl]amino]propionic acid [4-(nitrooxymethyl)phenyl] ester Formula: C33H44N2O9 MolecularWeight: 612.71046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)CO[N+](=O)[O-])NC(=O)CCCC=CCC2C(CC(C2CCC(CCC3=CC=CC=C3)O)O)O

Isomeric SMILES

CC(C(=O)OC1=CC=C(C=C1)CO[N+](=O)[O-])NC(=O)CCC/C=C\C[C@H]2[C@H](C[C@H]([C@@H]2CC[C@H](CCC3=CC=CC=C3)O)O)O

InChI

InChI=1S/C33H44N2O9/c1-23(33(40)44-27-18-14-25(15-19-27)22-43-35(41)42)34-32(39)12-8-3-2-7-11-28-29(31(38)21-30(28)37)20-17-26(36)16-13-24-9-5-4-6-10-24/h2,4-7,9-10,14-15,18-19,23,26,28-31,36-38H,3,8,11-13,16-17,20-22H2,1H3,(H,34,39)/b7-2-/t23?,26-,28+,29+,30-,31+/m0/s1