[(E,3S)-1-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-oxidanylidene-hept-2-enyl]-3,5-bis(oxidanyl)cyclopentyl]-5-phenyl-pent-1-en-3-yl] 2-azanyl-3-(1H-indol-3-yl)propanoate

Systemtic Name: [(E,3S)-1-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-oxidanylidene-hept-2-enyl]-3,5-bis(oxidanyl)cyclopentyl]-5-phenyl-pent-1-en-3-yl] 2-azanyl-3-(1H-indol-3-yl)propanoate Openeye Name: [(E,1S)-3-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-oxo-hept-2-enyl]-3,5-dihydroxy-cyclopentyl]-1-phenethyl-allyl] 2-amino-3-(1H-indol-3-yl)propanoate CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid [(E,3S)-1-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]-3,5-dihydroxycyclopentyl]-5-phenylpent-1-en-3-yl] ester IUPAC Name: [(E,3S)-1-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]-3,5-dihydroxycyclopentyl]-5-phenylpent-1-en-3-yl] 2-amino-3-(1H-indol-3-yl)propanoate Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid [(E,1S)-3-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-keto-hept-2-enyl]-3,5-dihydroxy-cyclopentyl]-1-phenethyl-allyl] ester Formula: C36H47N3O5 MolecularWeight: 601.77548

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC=CC=C2)OC(=O)C(CC3=CNC4=CC=CC=C43)N)O)O

Isomeric SMILES

CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)OC(=O)C(CC3=CNC4=CC=CC=C43)N)O)O

InChI

InChI=1S/C36H47N3O5/c1-2-38-35(42)17-9-4-3-8-15-29-30(34(41)23-33(29)40)21-20-27(19-18-25-12-6-5-7-13-25)44-36(43)31(37)22-26-24-39-32-16-11-10-14-28(26)32/h3,5-8,10-14,16,20-21,24,27,29-31,33-34,39-41H,2,4,9,15,17-19,22-23,37H2,1H3,(H,38,42)/b8-3-,21-20+/t27-,29+,30+,31?,33-,34+/m0/s1