3-[[(4Z)-9,10-dimethoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[(4Z)-9,10-dimethoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[(4Z)-9,10-dimethoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazono)-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulene-8-carbonyl]amino]propanoic acid CAS Name: 3-[[[(4Z)-9,10-dimethoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[(4Z)-9,10-dimethoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulene-8-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[(4Z)-9,10-dimethoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazono)-2,3,3a,5,6,10b-hexahydro-1H-benz[e]azulene-8-carbonyl]amino]propionic acid Formula: C32H40N6O7 MolecularWeight: 620.696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CCC(=NNC3=NCCCN3)C4C2CCC4)C=C1C(=O)NCC(C(=O)O)NC(=O)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C2=C(CC/C(=N/NC3=NCCCN3)/C4C2CCC4)C=C1C(=O)NCC(C(=O)O)NC(=O)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C32H40N6O7/c1-43-27-23(29(39)35-17-25(30(40)41)36-32(42)45-18-19-8-4-3-5-9-19)16-20-12-13-24(37-38-31-33-14-7-15-34-31)21-10-6-11-22(21)26(20)28(27)44-2/h3-5,8-9,16,21-22,25H,6-7,10-15,17-18H2,1-2H3,(H,35,39)(H,36,42)(H,40,41)(H2,33,34,38)/b37-24-