3-aminocarbonyl-3-[N'-[6-[(3-aminocarbonyl-2-aminocarbonyloxy-4-prop-2-enyl-3-bicyclo[2.2.1]hept-5-enyl)oxycarbonylamino]hexyl]carbamimidoyl]oxy-2-aminocarbonyloxy-4-prop-2-enyl-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Systemtic Name: 3-aminocarbonyl-3-[N'-[6-[(3-aminocarbonyl-2-aminocarbonyloxy-4-prop-2-enyl-3-bicyclo[2.2.1]hept-5-enyl)oxycarbonylamino]hexyl]carbamimidoyl]oxy-2-aminocarbonyloxy-4-prop-2-enyl-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Openeye Name: 4-allyl-3-[N'-[6-[(4-allyl-3-carbamoyl-2-carbamoyloxy-3-bicyclo[2.2.1]hept-5-enyl)oxycarbonylamino]hexyl]carbamimidoyl]oxy-3-carbamoyl-2-carbamoyloxy-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid CAS Name: 3-[amino-[6-[[(3-carbamoyl-2-carbamoyloxy-4-prop-2-enyl-3-bicyclo[2.2.1]hept-5-enyl)oxy-oxomethyl]amino]hexylimino]methoxy]-3-carbamoyl-2-carbamoyloxy-4-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 3-carbamoyl-3-[N'-[6-[(3-carbamoyl-2-carbamoyloxy-4-prop-2-enyl-3-bicyclo[2.2.1]hept-5-enyl)oxycarbonylamino]hexyl]carbamimidoyl]oxy-2-carbamoyloxy-4-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid Traditional Name: 4-allyl-3-[N'-[6-[(4-allyl-3-carbamoyl-2-carbamoyloxy-3-bicyclo[2.2.1]hept-5-enyl)oxycarbonylamino]hexyl]amidino]oxy-3-carbamoyl-2-carbamoyloxy-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Formula: C33H45N7O11 MolecularWeight: 715.7507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC12CC(C=C1)C(C2(C(=O)N)OC(=O)NCCCCCCN=C(N)OC3(C4(CC(C3(C(=O)O)OC(=O)N)C=C4)CC=C)C(=O)N)OC(=O)N

Isomeric SMILES

C=CCC12CC(C=C1)C(C2(C(=O)N)OC(=O)NCCCCCCN=C(N)OC3(C4(CC(C3(C(=O)O)OC(=O)N)C=C4)CC=C)C(=O)N)OC(=O)N

InChI

InChI=1S/C33H45N7O11/c1-3-11-29-13-9-19(17-29)21(48-26(37)45)32(29,22(34)41)51-28(47)40-16-8-6-5-7-15-39-25(36)49-33(23(35)42)30(12-4-2)14-10-20(18-30)31(33,24(43)44)50-27(38)46/h3-4,9-10,13-14,19-21H,1-2,5-8,11-12,15-18H2,(H2,34,41)(H2,35,42)(H2,36,39)(H2,37,45)(H2,38,46)(H,40,47)(H,43,44)