2-[[(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-3a-(carboxymethylcarbamoyl)-5a,5b,8,11a-tetramethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-3a-(carboxymethylcarbamoyl)-5a,5b,8,11a-tetramethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-3a-(carboxymethylcarbamoyl)-9-hydroxy-1-isopropenyl-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carbonyl]amino]acetic acid CAS Name: 2-[[[(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-3a-[(carboxymethylamino)-oxomethyl]-9-hydroxy-5a,5b,8,11a-tetramethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-3a-(carboxymethylcarbamoyl)-9-hydroxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carbonyl]amino]acetic acid Traditional Name: 2-[[(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-3a-(carboxymethylcarbamoyl)-9-hydroxy-1-isopropenyl-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carbonyl]amino]acetic acid Formula: C34H52N2O7 MolecularWeight: 600.78588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C(=O)NCC(=O)O)O)C)C(=O)NCC(=O)O

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H]([C@@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C(=O)NCC(=O)O)O)C)C(=O)NCC(=O)O

InChI

InChI=1S/C34H52N2O7/c1-19(2)20-9-14-34(29(43)36-18-26(40)41)16-15-31(4)21(27(20)34)7-8-22-30(3)12-11-24(37)33(6,28(42)35-17-25(38)39)23(30)10-13-32(22,31)5/h20-24,27,37H,1,7-18H2,2-6H3,(H,35,42)(H,36,43)(H,38,39)(H,40,41)/t20-,21+,22+,23+,24+,27+,30+,31+,32+,33-,34-/m0/s1