 | | N0S | | Name: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione | | Formula: | C31 H37 Cl N2 O5 S | | SMILES: | C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(NS(C(CCC=CC(C6C(C5)CC6)O)C)(=O)=O)=O | | InChi: | InChI=1S/C31H37ClN2O5S/c1-20-5-2-3-7-28(35)25-11-8-23(25)17-34-18-31(14-4-6-21-15-24(32)10-12-26(21)31)19-39-29-13-9-22(16-27(29)34)30(36)33-40(20,37)38/h3,7,9-10,12-13,15-16,20,23,25,28,35H,2,4-6,8,11,14,17-19H2,1H3,(H,33,36)/b7-3+/t20-,23+,25-,28+,31+/m1/s1 | | Definition date: | 2019-04-29 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione |
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 | | N57 | | Name: | (2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl alpha-D-galactopyranoside | | Formula: | C24 H49 N O8 | | SMILES: | CCCCCCCCCCCCCCC(C(O)C(COC1OC(CO)C(O)C(C1O)O)N)O | | InChi: | InChI=1S/C24H49NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(27)20(28)17(25)16-32-24-23(31)22(30)21(29)19(15-26)33-24/h17-24,26-31H,2-16,25H2,1H3/t17-,18+,19+,20-,21-,22-,23+,24-/m0/s1 | | Definition date: | 2019-05-03 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | (2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl alpha-D-galactopyranoside |
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 | | KE7 | | Name: | 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide | | Formula: | C25 H29 Cl F3 N5 O4 | | SMILES: | c2(nc(OC1CCC(C)(CC1)O)c3c(n2)ncc3Cl)Nc4c(cc(cc4)C(N(C)C)=O)OC(C(F)(F)F)C | | InChi: | InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | | Definition date: | 2018-11-28 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide |
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 | | LOD | | Name: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid | | Formula: | C23 H24 Cl N O3 | | SMILES: | c5c(Cl)cc4CCC2(COc1ccc(cc1N(C2)CC3CCC3)C(O)=O)c4c5 | | InChi: | InChI=1S/C23H24ClNO3/c24-18-5-6-19-16(10-18)8-9-23(19)13-25(12-15-2-1-3-15)20-11-17(22(26)27)4-7-21(20)28-14-23/h4-7,10-11,15H,1-3,8-9,12-14H2,(H,26,27)/t23-/m0/s1 | | Definition date: | 2019-03-07 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid |
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 | | LOJ | | Name: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid | | Formula: | C21 H21 Cl2 N O3 | | SMILES: | c4c(c(C1COc3ccc(cc3N(C1)CC2CCC2)C(O)=O)ccc4Cl)Cl | | InChi: | InChI=1S/C21H21Cl2NO3/c22-16-5-6-17(18(23)9-16)15-11-24(10-13-2-1-3-13)19-8-14(21(25)26)4-7-20(19)27-12-15/h4-9,13,15H,1-3,10-12H2,(H,25,26)/t15-/m0/s1 | | Definition date: | 2019-03-07 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid |
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 | | AWC | | Name: | 2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine | | Formula: | C13 H15 N2 O7 P Se | | SMILES: | P(OCC1OC(CC1O)N2C(=O)NC(=O)C(=C2)c3[se]ccc3)(O)=O | | InChi: | InChI=1S/C13H15N2O7PSe/c16-8-4-11(22-9(8)6-21-23(19)20)15-5-7(10-2-1-3-24-10)12(17)14-13(15)18/h1-3,5,8-9,11,16,23H,4,6H2,(H,19,20)(H,14,17,18)/t8-,9+,11+/m0/s1 | | Definition date: | 2018-11-28 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | 2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine |
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 | | 75F | | Name: | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one | | Formula: | C20 H23 N3 O | | SMILES: | CCC2(C1C(CC(CC1=Nc3nncc23)(C)C)=O)c4ccccc4 | | InChi: | InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12,17H,4,10-11H2,1-3H3,(H,21,23)/t17-,20-/m0/s1 | | Definition date: | 2016-08-26 | | Last modified: | 2019-05-08 | | Release date: | 2018-02-21 | | Identifier: | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
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 | | ZZD | | Name: | S-TRITYL-L-CYSTEINE | | Formula: | C22 H21 N O2 S | | SMILES: | O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1 | | Definition date: | 2009-07-23 | | Last modified: | 2019-05-07 | | Identifier: | S-trityl-L-cysteine |
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 | | T0I | | Name: | (2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid | | Formula: | C12 H13 N3 O4 | | SMILES: | N[CH](Cc1cc(n2ccnc2)c(O)cc1O)C(O)=O | | InChi: | InChI=1S/C12H13N3O4/c13-8(12(18)19)3-7-4-9(11(17)5-10(7)16)15-2-1-14-6-15/h1-2,4-6,8,16-17H,3,13H2,(H,18,19)/t8-/m0/s1 | | Definition date: | 2011-01-31 | | Last modified: | 2019-05-07 | | Identifier: | (2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid |
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 | | 8YN | | Name: | Pseudoisocytidine | | Formula: | C9 H14 N3 O7 P | | SMILES: | NC1=NC=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1 | | InChi: | InChI=1S/C9H14N3O7P/c10-9-11-2-4(8(14)12-9)6-1-5(13)7(19-6)3-18-20(15,16)17/h2,5-7,13H,1,3H2,(H2,15,16,17)(H3,10,11,12,14)/t5-,6+,7+/m0/s1 | | Definition date: | 2017-03-27 | | Last modified: | 2019-05-07 | | Release date: | 2017-06-28 | | Identifier: | [(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | 9DN | | Name: | DANSYL-L-ASPARAGINE | | Formula: | C16 H19 N3 O5 S | | SMILES: | O=C(N)CC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C | | InChi: | InChI=1S/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)/t12-/m0/s1 | | Definition date: | 2010-10-28 | | Last modified: | 2019-05-07 | | Identifier: | N~2~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-asparagine |
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 | | 45A | | Name: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine | | Formula: | C11 H16 N5 O6 P | | SMILES: | O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C | | InChi: | InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | | Definition date: | 2015-02-09 | | Last modified: | 2019-05-07 | | Release date: | 2015-11-18 | | Identifier: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine |
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 | | MFO | | Name: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C22 H23 N6 O8 P | | SMILES: | CC(=O)N(c1ccc2ccccc2c1)c3nc4C(=O)N=C(N)Nc4n3[CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5 | | InChi: | InChI=1S/C22H23N6O8P/c1-11(29)27(14-7-6-12-4-2-3-5-13(12)8-14)22-24-18-19(25-21(23)26-20(18)31)28(22)17-9-15(30)16(36-17)10-35-37(32,33)34/h2-8,15-17,30H,9-10H2,1H3,(H2,32,33,34)(H3,23,25,26,31)/t15-,16+,17+/m0/s1 | | Definition date: | 2016-04-06 | | Last modified: | 2019-05-07 | | Release date: | 2016-06-01 | | Identifier: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | NDU | | Name: | 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE | | Formula: | C9 H14 N3 O10 P | | SMILES: | [O-][N+](=O)C1C(=O)NC(=O)N(C1)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C9H14N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h4-7,13H,1-3H2,(H,10,14,15)(H2,18,19,20)/t4-,5+,6-,7-/m1/s1 | | Definition date: | 2007-10-27 | | Last modified: | 2019-05-07 | | Identifier: | 2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate) |
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 | | 6FK | | Name: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C18 H21 N6 O8 P | | SMILES: | CC(=O)N(c1ccccc1)c2nc3C(=O)N=C(N)Nc3n2[CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4 | | InChi: | InChI=1S/C18H21N6O8P/c1-9(25)23(10-5-3-2-4-6-10)18-20-14-15(21-17(19)22-16(14)27)24(18)13-7-11(26)12(32-13)8-31-33(28,29)30/h2-6,11-13,26H,7-8H2,1H3,(H2,28,29,30)(H3,19,21,22,27)/t11-,12+,13+/m0/s1 | | Definition date: | 2016-04-15 | | Last modified: | 2019-05-07 | | Release date: | 2016-06-01 | | Identifier: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | 8PY | | Name: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C28 H25 N6 O8 P | | SMILES: | CC(=O)N(c1cc2ccc3cccc4ccc(c1)c2c34)c5nc6C(=O)NC(=Nc6n5[CH]7C[CH](O)[CH](CO[P](O)(O)=O)O7)N | | InChi: | InChI=1S/C28H25N6O8P/c1-13(35)33(18-9-16-7-5-14-3-2-4-15-6-8-17(10-18)23(16)22(14)15)28-30-24-25(31-27(29)32-26(24)37)34(28)21-11-19(36)20(42-21)12-41-43(38,39)40/h2-10,19-21,36H,11-12H2,1H3,(H2,38,39,40)(H3,29,31,32,37)/t19-,20+,21+/m0/s1 | | Definition date: | 2016-04-22 | | Last modified: | 2019-05-07 | | Release date: | 2016-06-01 | | Identifier: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | SXE | | Name: | O-{(S)-ETHOXY[(1-METHYLETHYL)AMINO]PHOSPHORYL}-L-SERINE | | Formula: | C8 H19 N2 O5 P | | SMILES: | O=P(OCC)(OCC(N)C(=O)O)NC(C)C | | InChi: | InChI=1S/C8H19N2O5P/c1-4-14-16(13,10-6(2)3)15-5-7(9)8(11)12/h6-7H,4-5,9H2,1-3H3,(H,10,13)(H,11,12)/t7-,16-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2019-05-06 | | Identifier: | O-{(S)-ethoxy[(1-methylethyl)amino]phosphoryl}-L-serine |
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 | | B8H | | Name: | [(2~{R},3~{S},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C10 H15 N2 O9 P | | SMILES: | CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O | | InChi: | InChI=1S/C10H15N2O9P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1 | | Definition date: | 2017-09-25 | | Last modified: | 2019-05-06 | | Release date: | 2018-01-24 | | Identifier: | [(2~{R},3~{S},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | | B8K | | Name: | 7-acetyl, guanosine-5'-monophosphate | | Formula: | C12 H18 N5 O9 P | | SMILES: | CC(=O)N1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N | | InChi: | InChI=1S/C12H18N5O9P/c1-4(18)16-3-17(9-6(16)10(21)15-12(13)14-9)11-8(20)7(19)5(26-11)2-25-27(22,23)24/h5,7-8,11,19-20H,2-3H2,1H3,(H2,22,23,24)(H3,13,14,15,21)/t5-,7-,8-,11-/m1/s1 | | Definition date: | 2017-09-25 | | Last modified: | 2019-05-06 | | Release date: | 2018-01-24 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | | B9H | | Name: | 2'-methyl, 3-propyl, cytidine-5'-monophosphate | | Formula: | C13 H24 N3 O8 P | | SMILES: | CCCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC)C1=O | | InChi: | InChI=1S/C13H24N3O8P/c1-3-5-15-9(14)4-6-16(13(15)18)12-11(22-2)10(17)8(24-12)7-23-25(19,20)21/h4,6,8-12,17H,3,5,7,14H2,1-2H3,(H2,19,20,21)/t8-,9-,10-,11-,12-/m1/s1 | | Definition date: | 2017-09-26 | | Last modified: | 2019-05-06 | | Release date: | 2018-01-24 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-3-propyl-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | TCJ | | Name: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate | | Formula: | C13 H18 N3 O7 P | | SMILES: | CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O[P](O)(O)=O)[CH]3O2)C(=O)N=C1N | | InChi: | InChI=1S/C13H18N3O7P/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H2,14,15,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1 | | Definition date: | 2018-03-12 | | Last modified: | 2019-05-06 | | Release date: | 2018-06-06 | | Identifier: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate |
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 | | F7H | | Name: | 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one | | Formula: | C13 H17 N3 O4 | | SMILES: | CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O)[CH]3O2)C(=O)N=C1N | | InChi: | InChI=1S/C13H17N3O4/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,19)10(12)20-8/h5,7-8,10,18-19H,2-4H2,1H3,(H2,14,15,17)/t7-,8-,10+,12+,13-/m1/s1 | | Definition date: | 2018-06-06 | | Last modified: | 2019-05-06 | | Release date: | 2018-06-13 | | Identifier: | 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one |
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 | | F7K | | Name: | 2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one | | Formula: | C13 H15 N5 O4 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5C[C]5(O)[CH]4O3 | | InChi: | InChI=1S/C13H15N5O4/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,21)10(12)22-6/h4-6,10,20-21H,1-3H2,(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1 | | Definition date: | 2018-06-07 | | Last modified: | 2019-05-06 | | Release date: | 2018-06-13 | | Identifier: | 2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one |
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 | | EAN | | Name: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate | | Formula: | C13 H17 N2 O8 P | | SMILES: | CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O[P](O)(O)=O)[CH]3O2)C(=O)NC1=O | | InChi: | InChI=1S/C13H17N2O8P/c1-6-5-15(11(17)14-9(6)16)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1 | | Definition date: | 2018-03-12 | | Last modified: | 2019-05-06 | | Release date: | 2018-06-06 | | Identifier: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate |
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 | | LAY | | Name: | N-acetyl-L-leucine | | Formula: | C8 H15 N O3 | | SMILES: | O=C(NC(C(=O)O)CC(C)C)C | | InChi: | InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 | | Definition date: | 2015-01-22 | | Last modified: | 2019-05-06 | | Release date: | 2016-01-27 | | Identifier: | N-acetyl-L-leucine |
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