2-[(3S,5aS,8aR)-3-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-1-yl]ethanoic acid

Systemtic Name: 2-[(3S,5aS,8aR)-3-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-1-yl]ethanoic acid Openeye Name: 2-[(3S,5aS,8aR)-3-[[(1S)-3-cyclohexyl-1-ethoxycarbonyl-propyl]amino]-2-oxo-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-1-yl]acetic acid CAS Name: 2-[(3S,5aS,8aR)-3-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]-2-oxo-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-1-yl]acetic acid IUPAC Name: 2-[(3S,5aS,8aR)-3-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]-2-oxo-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-1-yl]acetic acid Traditional Name: 2-[(3S,5aS,8aR)-3-[[(1S)-1-carbethoxy-3-cyclohexyl-propyl]amino]-2-keto-3,4,5,5a,6,7,8,8a-octahydrocyclopent[b]azepin-1-yl]acetic acid Formula: C23H38N2O5 MolecularWeight: 422.55822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1CCCCC1)NC2CCC3CCCC3N(C2=O)CC(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CCC1CCCCC1)N[C@H]2CC[C@@H]3CCC[C@H]3N(C2=O)CC(=O)O

InChI

InChI=1S/C23H38N2O5/c1-2-30-23(29)19(13-11-16-7-4-3-5-8-16)24-18-14-12-17-9-6-10-20(17)25(22(18)28)15-21(26)27/h16-20,24H,2-15H2,1H3,(H,26,27)/t17-,18-,19-,20+/m0/s1