| ZM5 | Name: | (2R)-2-(tridecanoyloxy)propyl hexadecanoate | Formula: | C32 H62 O5 | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCC | InChi: | InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-18-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m1/s1 | Synonyms: | (3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate | Definition date: | 2024-01-22 | Last modified: | 2024-09-27 | Release date: | 2024-04-17 | Identifier: | (3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate |
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| XKN | Name: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride | Formula: | C30 H29 F N4 O4 S | SMILES: | COc1ccccc1Cn1cnc2cc(ccc12)C(=O)N1CCN(Cc2cc(cc(C#C)c2)S(F)(=O)=O)CC1C | InChi: | InChI=1S/C30H29FN4O4S/c1-4-22-13-23(15-26(14-22)40(31,37)38)18-33-11-12-35(21(2)17-33)30(36)24-9-10-28-27(16-24)32-20-34(28)19-25-7-5-6-8-29(25)39-3/h1,5-10,13-16,20-21H,11-12,17-19H2,2-3H3/t21-/m1/s1 | Definition date: | 2022-11-23 | Last modified: | 2024-09-27 | Release date: | 2023-05-31 | Identifier: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride |
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| TPX | Name: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | Formula: | C14 H19 N O5 S | SMILES: | O=S(=O)(c1ccc(cc1)C)NCC(C(=O)O)C(C=O)CC | InChi: | InChI=1S/C14H19NO5S/c1-3-11(9-16)13(14(17)18)8-15-21(19,20)12-6-4-10(2)5-7-12/h4-7,9,11,13,15H,3,8H2,1-2H3,(H,17,18)/t11-,13-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (2S,3S)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid |
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| YY3 | Name: | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | Formula: | C28 H33 N7 O2 | SMILES: | CN(CCN(c1cc(c(cc1NC(C=C)=O)Nc2nc(ccn2)c3cn(c4c3cccc4)C)OC)C)C | InChi: | InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | Synonyms: | Osimertinib | Definition date: | 2015-04-14 | Last modified: | 2024-09-27 | Release date: | 2015-11-11 | Identifier: | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide |
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| SWG | Name: | 2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid | Formula: | C16 H16 N4 O4 | SMILES: | N[CH](CO)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O | InChi: | InChI=1S/C16H16N4O4/c17-11(8-21)15-19-13(16(24)20(15)7-14(22)23)5-9-6-18-12-4-2-1-3-10(9)12/h1-6,11,18,21H,7-8,17H2,(H,22,23)/b13-5-/t11-/m0/s1 | Definition date: | 2011-03-25 | Last modified: | 2024-09-27 | Identifier: | 2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid |
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| TPY | Name: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | Formula: | C13 H16 N2 O7 S | SMILES: | O=S(=O)(NCC(C(=O)O)C(C=O)CC)c1ccc([N+]([O-])=O)cc1 | InChi: | InChI=1S/C13H16N2O7S/c1-2-9(8-16)12(13(17)18)7-14-23(21,22)11-5-3-10(4-6-11)15(19)20/h3-6,8-9,12,14H,2,7H2,1H3,(H,17,18)/t9-,12-/m1/s1 | Definition date: | 2000-06-09 | Last modified: | 2024-09-27 | Identifier: | (2S,3S)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid |
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| VRB | Name: | Phycoviolobilin, blue light-absorbing form | Formula: | C33 H42 N4 O6 | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,27,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-/t27-/m1/s1 | Synonyms: | 3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyr
rol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | Definition date: | 2012-08-28 | Last modified: | 2024-09-27 | Identifier: | 3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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| SWH | Name: | {4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-) | Formula: | C24 H20 B F N O6 S | SMILES: | O=C1S/C(C(=O)N1Cc2ccc(F)cc2)=Cc4ccc(OCc3ccc(cc3)[B-](O)(O)O)cc4 | InChi: | InChI=1S/C24H20BFNO6S/c26-20-9-3-17(4-10-20)14-27-23(28)22(34-24(27)29)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(30,31)32/h1-13,30-32H,14-15H2/q-1/b22-13- | Synonyms: | HA155 INHIBITOR | Definition date: | 2010-09-14 | Last modified: | 2024-09-27 | Identifier: | {4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-) |
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| UWH | Name: | 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde | Formula: | C14 H20 N2 O4 S | SMILES: | COCCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C14H20N2O4S/c1-20-11-10-15-6-8-16(9-7-15)21(18,19)14-4-2-13(12-17)3-5-14/h2-5,12H,6-11H2,1H3 | Definition date: | 2021-03-23 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde |
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| SIL | Name: | [(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE | Formula: | C12 H23 O5 P | SMILES: | O=P(OCC1OC(OC1)(C)C)(O)CCCCC=C | InChi: | InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m1/s1 | Synonyms: | O-[(S)-1,2-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE | Definition date: | 2003-10-16 | Last modified: | 2024-09-27 | Identifier: | [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (R)-hex-5-en-1-ylphosphonate |
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| XKQ | Name: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Formula: | C24 H40 F2 N4 O6 | SMILES: | CNC(=O)C(O)C(CCC(C)(F)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C | InChi: | InChI=1S/C24H40F2N4O6/c1-23(2,3)18(29-22(35)36-6)21(34)30-12-13-8-7-9-14(13)16(30)19(32)28-15(10-11-24(4,25)26)17(31)20(33)27-5/h13-18,31H,7-12H2,1-6H3,(H,27,33)(H,28,32)(H,29,35)/t13-,14-,15-,16-,17+,18+/m0/s1 | Definition date: | 2023-11-03 | Last modified: | 2024-09-27 | Release date: | 2024-03-06 | Identifier: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name) |
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| TBE | Name: | TAZOBACTAM INTERMEDIATE | Formula: | C10 H14 N4 O5 S | SMILES: | O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)N/C=CC=O | InChi: | InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2-/t8-,10-/m0/s1 | Definition date: | 2004-07-28 | Last modified: | 2024-09-27 | Identifier: | (3S)-3-(dioxidosulfanyl)-N-[(1Z)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine |
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| WOH | Name: | benzyl {(2S)-1-[2-(3-amino-3-oxopropyl)-2-(chloroacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl}carbamate (non-preferred name) | Formula: | C19 H27 Cl N4 O5 | SMILES: | ClCC(=O)N(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 | InChi: | InChI=1S/C19H27ClN4O5/c1-13(2)10-15(22-19(28)29-12-14-6-4-3-5-7-14)18(27)23-24(17(26)11-20)9-8-16(21)25/h3-7,13,15H,8-12H2,1-2H3,(H2,21,25)(H,22,28)(H,23,27)/t15-/m0/s1 | Definition date: | 2022-10-05 | Last modified: | 2024-09-27 | Release date: | 2023-10-11 | Identifier: | benzyl {(2S)-1-[2-(3-amino-3-oxopropyl)-2-(chloroacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl}carbamate (non-preferred name) |
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| YYA | Name: | 2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid | Formula: | C11 H19 N O3 | SMILES: | O=C(O)C(NC)C(O)C(CC=C/C=C)C | InChi: | InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1 | Definition date: | 2010-11-19 | Last modified: | 2024-09-27 | Identifier: | 2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid |
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| U4U | Name: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one | Formula: | C23 H22 Cl F N2 O3 | SMILES: | Oc1cccc(Cl)c1c1c(C#C)cc2CN3CCN(CC3COc2c1F)C(=O)CC | InChi: | InChI=1S/C23H22ClFN2O3/c1-3-14-10-15-11-26-8-9-27(19(29)4-2)12-16(26)13-30-23(15)22(25)20(14)21-17(24)6-5-7-18(21)28/h1,5-7,10,16,28H,4,8-9,11-13H2,2H3/t16-/m1/s1 | Definition date: | 2022-08-04 | Last modified: | 2024-09-27 | Release date: | 2022-08-17 | Identifier: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one |
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| UWK | Name: | 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde | Formula: | C13 H17 N O4 S | SMILES: | CO[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C13H17NO4S/c1-18-12-3-2-8-14(9-12)19(16,17)13-6-4-11(10-15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3/t12-/m1/s1 | Definition date: | 2021-03-24 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde |
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| TBI | Name: | TAZOBACTAM TRANS-ENAMINE INTERMEDIATE | Formula: | C10 H14 N4 O5 S | SMILES: | O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)NC=CC=O | InChi: | InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2+/t8-,10-/m0/s1 | Definition date: | 2003-11-20 | Last modified: | 2024-09-27 | Identifier: | (3S)-3-(dioxidosulfanyl)-N-[(1E)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine |
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| WOK | Name: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C30 H37 F4 N5 O5 S | SMILES: | FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(F)ccc3s1)C2(C)C)C(C)(C)C | InChi: | InChI=1S/C30H37F4N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-15-19(29(15,4)5)20(39)24(42)36-17(10-13-8-9-35-23(13)41)21(40)25-37-16-11-14(31)6-7-18(16)45-25/h6-7,11,13,15,17,19-22,40H,8-10,12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,15-,17-,19-,20-,21-,22+/m0/s1 | Synonyms: | Inhibitor TKB-272, hemithioacetal bound form | Definition date: | 2023-10-09 | Last modified: | 2024-09-27 | Release date: | 2023-12-13 | Identifier: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| YJ2 | Name: | (2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE | Formula: | C25 H25 Br Cl N3 O4 S | SMILES: | O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Br)cc3)CC4)C5 | InChi: | InChI=1S/C25H25BrClN3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1 | Definition date: | 2011-05-18 | Last modified: | 2024-09-27 | Identifier: | (4R)-1-{[1-(4-bromophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-L-prolinamide |
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| IPP | Name: | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | Formula: | C9 H11 I N O3 P | SMILES: | Ic1ccc(cc1)CC(=O)NCP(=O)O | InChi: | InChI=1S/C9H11INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4,15H,5-6H2,(H,11,12)(H,13,14) | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (R)-({[(4-iodophenyl)acetyl]amino}methyl)phosphinic acid |
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| X57 | Name: | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid | Formula: | C10 H14 F N3 O5 | SMILES: | O=C(C1C=C(C)C(NOC(C(=O)O)F)CN1C=O)N | InChi: | InChI=1S/C10H14FN3O5/c1-5-2-7(9(12)16)14(4-15)3-6(5)13-19-8(11)10(17)18/h2,4,6-8,13H,3H2,1H3,(H2,12,16)(H,17,18)/t6-,7-,8-/m0/s1 | Definition date: | 2020-01-13 | Last modified: | 2024-09-27 | Release date: | 2020-08-26 | Identifier: | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid |
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| UWO | Name: | methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | Formula: | C24 H21 F3 N2 O4 | SMILES: | COC(=O)c1ccc2N([CH](c3ccc(cc3)C(F)(F)F)C4=C(CCCC4=O)Nc2c1)C(C)=O | InChi: | InChI=1S/C24H21F3N2O4/c1-13(30)29-19-11-8-15(23(32)33-2)12-18(19)28-17-4-3-5-20(31)21(17)22(29)14-6-9-16(10-7-14)24(25,26)27/h6-12,22,28H,3-5H2,1-2H3/t22-/m1/s1 | Definition date: | 2023-06-23 | Last modified: | 2024-09-27 | Release date: | 2023-08-16 | Identifier: | methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate |
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| TQ8 | Name: | N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide | Formula: | C17 H18 Cl N O3 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CCl | InChi: | InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1 | Synonyms: | CAS329306 | Definition date: | 2010-11-17 | Last modified: | 2024-09-27 | Identifier: | N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide |
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| UWQ | Name: | 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde | Formula: | C13 H17 N O4 S | SMILES: | COC1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C13H17NO4S/c1-18-12-6-8-14(9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3 | Definition date: | 2021-03-24 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde |
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| ZMK | Name: | methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate | Formula: | C19 H35 N2 O10 P S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CCCCCC(=O)OC | InChi: | InChI=1S/C19H35N2O10PS/c1-19(2,13-31-32(27,28)29)17(25)18(26)21-10-9-14(22)20-11-12-33-16(24)8-6-4-5-7-15(23)30-3/h17,25H,4-13H2,1-3H3,(H,20,22)(H,21,26)(H2,27,28,29)/t17-/m1/s1 | Definition date: | 2012-05-01 | Last modified: | 2024-09-27 | Release date: | 2012-10-12 | Identifier: | methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate |
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