| A1BA2 | Name: | (6R)-3,4-dichloro-6-hydroxycyclohex-3-en-1-one | Formula: | C6 H6 Cl2 O2 | SMILES: | ClC=1CC(=O)C(O)CC=1Cl | InChi: | InChI=1S/C6H6Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h5,9H,1-2H2/t5-/m1/s1 | Definition date: | 2024-09-26 | Last modified: | 2024-10-04 | Release date: | 2024-10-09 | Identifier: | (6R)-3,4-dichloro-6-hydroxycyclohex-3-en-1-one |
|
| A1L2V | Name: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one | Formula: | C15 H11 Cl O4 | SMILES: | Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Cl)c2 | InChi: | InChI=1S/C15H11ClO4/c16-12-7-9(2-6-14(12)19)1-5-13(18)11-4-3-10(17)8-15(11)20/h1-8,17,19-20H/b5-1+ | Definition date: | 2024-07-09 | Last modified: | 2024-10-04 | Release date: | 2024-10-09 | Identifier: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one |
|
| A1L2W | Name: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one | Formula: | C15 H11 Br O4 | SMILES: | Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Br)c2 | InChi: | InChI=1S/C15H11BrO4/c16-12-7-9(2-6-14(12)19)1-5-13(18)11-4-3-10(17)8-15(11)20/h1-8,17,19-20H/b5-1+ | Definition date: | 2024-07-09 | Last modified: | 2024-10-04 | Release date: | 2024-10-09 | Identifier: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one |
|
| TN4 | Name: | (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl
(chloroacetyl)carbamate | Formula: | C19 H30 Cl N O6 | SMILES: | ClCC(=O)NC(=O)OC2CCC(O)(C(C1(OC1C/C=C(/C)C)C)C2OC)C | InChi: | InChI=1S/C19H30ClNO6/c1-11(2)6-7-13-19(4,27-13)16-15(25-5)12(8-9-18(16,3)24)26-17(23)21-14(22)10-20/h6,12-13,15-16,24H,7-10H2,1-5H3,(H,21,22,23)/t12-,13-,15-,16+,18-,19+/m1/s1 | Synonyms: | TNP-470 (Open form) | Definition date: | 2003-04-24 | Last modified: | 2024-09-27 | Identifier: | (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate |
|
| TO4 | Name: | propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate | Formula: | C15 H30 F O2 P | SMILES: | P(CCCCCCCCCC[C@H]=C)(F)(=O)OC(C)C | InChi: | InChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1 | Synonyms: | 11-dodecenyl-phosphonofluoridic acid 1-methylethyl ester | Definition date: | 2020-03-25 | Last modified: | 2024-09-27 | Release date: | 2020-04-08 | Identifier: | propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate |
|
| T9M | Name: | N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide | Formula: | C9 H16 N2 O3 | SMILES: | N(C(C)=O)C(C(=O)NCC=C)C(C)O | InChi: | InChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8+/m0/s1 | Definition date: | 2020-03-18 | Last modified: | 2024-09-27 | Release date: | 2020-04-15 | Identifier: | N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide |
|
| T9P | Name: | N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide | Formula: | C9 H15 N3 O3 | SMILES: | N(C(CC(N)=O)C(NCC=C)=O)C(C)=O | InChi: | InChI=1S/C9H15N3O3/c1-3-4-11-9(15)7(5-8(10)14)12-6(2)13/h3,7H,1,4-5H2,2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1 | Definition date: | 2020-03-18 | Last modified: | 2024-09-27 | Release date: | 2020-04-15 | Identifier: | N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide |
|
| 3UM | Name: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid | Formula: | C20 H30 O4 | SMILES: | O=C(O)C3(C)C2(O)C(C1CC=C(/C=C)C(C1CC2O)C)(C)CCC3 | InChi: | InChI=1S/C20H30O4/c1-5-13-7-8-15-14(12(13)2)11-16(21)20(24)18(15,3)9-6-10-19(20,4)17(22)23/h5,7,12,14-16,21,24H,1,6,8-11H2,2-4H3,(H,22,23)/t12-,14-,15-,16+,18+,19+,20-/m0/s1 | Definition date: | 2014-11-05 | Last modified: | 2024-09-27 | Release date: | 2015-01-14 | Identifier: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid |
|
| TA1 | Name: | TAXOL | Formula: | C47 H51 N O14 | SMILES: | O=C(c1ccccc1)NC(c2ccccc2)C(O)C(=O)OC5C(=C4C(OC(=O)C)C(=O)C7(C(C(OC(=O)c3ccccc3)C(O)(C4(C)C)C5)C6(OC(=O)C)C(OC6)CC7O)C)C | InChi: | InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 | Definition date: | 2001-07-05 | Last modified: | 2024-09-27 | Identifier: | (2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
|
| TOO | Name: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form | Formula: | C61 H81 N13 O7 | SMILES: | CC(NC)C(=O)NC(C1CCCCC1)C(=O)N1CC(CC1C(=O)NC1CCCc2ccccc21)NC(=O)COCCN1CCN(CC1)CCCC(=O)N1CCCC(C1)n1nc(c2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1 | InChi: | InChI=1S/C61H81N13O7/c1-41(63-2)59(77)68-56(43-15-5-3-6-16-43)61(79)73-37-45(36-51(73)60(78)67-50-22-11-17-42-14-9-10-21-49(42)50)66-52(75)39-80-35-34-71-32-30-70(31-33-71)28-13-23-53(76)72-29-12-18-46(38-72)74-58-54(57(62)64-40-65-58)55(69-74)44-24-26-48(27-25-44)81-47-19-7-4-8-20-47/h4,7-10,14,19-21,24-27,40-41,43,45-46,50-51,56,63H,3,5-6,11-13,15-18,22-23,28-39H2,1-2H3,(H,66,75)(H,67,78)(H,68,77)(H2,62,64,65)/t41-,45-,46-,50-,51+,56+/m1/s1 | Definition date: | 2022-07-27 | Last modified: | 2024-09-27 | Release date: | 2023-03-08 | Identifier: | (4R)-4-(2-{2-[4-(4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobutyl)piperazin-1-yl]ethoxy}acetamido)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide |
|
| VQN | Name: | (phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C46 H57 F N8 O9 | SMILES: | CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=CC(=O)N3CCN(CC3)CC4CCN(CC4)c5cc6C(=O)N([CH]7CCC(=O)NC7=O)C(=O)c6cc5F | InChi: | InChI=1S/C46H57FN8O9/c1-28(2)22-36(50-46(63)64-27-30-6-4-3-5-7-30)42(59)49-32(23-31-12-15-48-41(31)58)8-11-40(57)54-20-18-52(19-21-54)26-29-13-16-53(17-14-29)38-25-34-33(24-35(38)47)44(61)55(45(34)62)37-9-10-39(56)51-43(37)60/h3-8,11,24-25,28-29,31-32,36-37H,9-10,12-23,26-27H2,1-2H3,(H,48,58)(H,49,59)(H,50,63)(H,51,56,60)/b11-8-/t31-,32-,36-,37-/m1/s1 | Definition date: | 2023-03-28 | Last modified: | 2024-09-27 | Release date: | 2024-01-17 | Identifier: | (phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
|
| IP8 | Name: | Isopentenyl phosphate | Formula: | C5 H11 O4 P | SMILES: | O=P(OCCC(=C)C)(O)O | InChi: | InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8) | Synonyms: | 3-methylbut-3-en-1-yl dihydrogen phosphate | Definition date: | 2009-10-21 | Last modified: | 2024-09-27 | Identifier: | 3-methylbut-3-en-1-yl dihydrogen phosphate |
|
| 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 |
|
| 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 |
|
| 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 |
|
| XLN | Name: | N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide | Formula: | C17 H33 N2 O8 P S | SMILES: | CCC[C@H]=[C@H]S(CCCNC(CCNC(C(C(COP(O)O)(C)C)O)=O)=O)(=O)=O | InChi: | InChI=1S/C17H33N2O8PS/c1-4-5-6-11-29(25,26)12-7-9-18-14(20)8-10-19-16(22)15(21)17(2,3)13-27-28(23)24/h6,11,15,21,23-24H,4-5,7-10,12-13H2,1-3H3,(H,18,20)(H,19,22)/b11-6-/t15-/m0/s1 | Definition date: | 2018-11-16 | Last modified: | 2024-09-27 | Release date: | 2019-03-13 | Identifier: | N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide |
|
| Y2D | Name: | 1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one | Formula: | C22 H20 F3 N5 O2 | SMILES: | c1cc(C(F)(F)F)ccc1COC2C(CN(C2)C(C=C)=O)n3cc(nn3)c4cccnc4 | InChi: | InChI=1S/C22H20F3N5O2/c1-2-21(31)29-12-19(30-11-18(27-28-30)16-4-3-9-26-10-16)20(13-29)32-14-15-5-7-17(8-6-15)22(23,24)25/h2-11,19-20H,1,12-14H2/t19-,20-/m1/s1 | Synonyms: | 1-[(3~{R},4~{R})-3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]prop-2-en-1-one | Definition date: | 2021-01-28 | Last modified: | 2024-09-27 | Release date: | 2022-02-02 | Identifier: | 1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one |
|
| SJT | Name: | spliceostatin A (form II) | Formula: | C28 H45 N O8 | SMILES: | CO[C]1(C)C[C](C)(O)[CH](O)[CH](O1)C=CC(C)=CC[CH]2O[CH](C)[CH](C[CH]2C)NC(=O)C=C[CH](C)OC(C)=O | InChi: | InChI=1S/C28H45NO8/c1-17(10-13-24-26(32)27(6,33)16-28(7,34-8)37-24)9-12-23-18(2)15-22(20(4)36-23)29-25(31)14-11-19(3)35-21(5)30/h9-11,13-14,18-20,22-24,26,32-33H,12,15-16H2,1-8H3,(H,29,31)/b13-10+,14-11-,17-9+/t18-,19-,20+,22+,23-,24+,26+,27-,28-/m0/s1 | Synonyms: | [(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-6-[(2~{E},4~{E})-5-[(2~{R},3~{R},4~{S},6~{S})-6-methoxy-4,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate | Definition date: | 2020-11-20 | Last modified: | 2024-09-27 | Release date: | 2021-08-04 | Identifier: | [(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-6-[(2~{E},4~{E})-5-[(2~{R},3~{R},4~{S},6~{S})-6-methoxy-4,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate |
|
| SY2 | Name: | N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine | Formula: | C24 H41 N5 O6 | SMILES: | O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCCC1)C(C)C)C(C)C)C(C)C | InChi: | InChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/t16-,17+,19+,20+/m1/s1 | Synonyms: | Syringolin B | Definition date: | 2009-03-30 | Last modified: | 2024-09-27 | Identifier: | N-{[(1S)-2-methyl-1-{[(3E,5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine |
|
| JZT | Name: | (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide | Formula: | C39 H64 N6 O7 | SMILES: | CC(C)(C)[CH](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[CH]2CCCCCCCCC[CH](NC(=O)[CH]3[CH]4[CH](CN3C2=O)C4(C)C)[CH](O)C(=O)NCC=C | InChi: | InChI=1S/C39H64N6O7/c1-9-19-40-34(50)32(48)25-17-15-13-11-10-12-14-16-18-26(35(51)45-22-24-30(39(24,7)8)31(45)33(49)41-25)42-36(52)43-27(37(2,3)4)23-44-28(46)20-38(5,6)21-29(44)47/h9,24-27,30-32,48H,1,10-23H2,2-8H3,(H,40,50)(H,41,49)(H2,42,43,52)/t24-,25-,26-,27+,30-,31-,32+/m0/s1 | Definition date: | 2009-12-08 | Last modified: | 2024-09-27 |
|
| WR9 | Name: | N-[(3S)-5-amino-5-oxopent-1-en-3-yl]-1-{1-[4-(cyclopropylmethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide | Formula: | C24 H31 N3 O4 | SMILES: | O=C(NC(C=C)CC(N)=O)C1CCCN1C(=O)C1(CC1)c1ccc(OCC2CC2)cc1 | InChi: | InChI=1S/C24H31N3O4/c1-2-18(14-21(25)28)26-22(29)20-4-3-13-27(20)23(30)24(11-12-24)17-7-9-19(10-8-17)31-15-16-5-6-16/h2,7-10,16,18,20H,1,3-6,11-15H2,(H2,25,28)(H,26,29)/t18-,20+/m1/s1 | Definition date: | 2022-10-14 | Last modified: | 2024-09-27 | Release date: | 2023-10-11 | Identifier: | N-[(3S)-5-amino-5-oxopent-1-en-3-yl]-1-{1-[4-(cyclopropylmethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide |
|
| TSL | Name: | TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | Formula: | C8 H13 N O5 S | SMILES: | O=S(O)C(C(NC=CC=O)C(=O)O)(C)C | InChi: | InChI=1S/C8H13NO5S/c1-8(2,15(13)14)6(7(11)12)9-4-3-5-10/h3-6,9H,1-2H3,(H,11,12)(H,13,14)/b4-3+/t6-/m0/s1 | Definition date: | 2005-07-28 | Last modified: | 2024-09-27 | Identifier: | N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine |
|
| Y4J | Name: | (1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C24 H39 N3 O8 S | SMILES: | N(C(=O)C(CC(C)C)NC(OCC1CC2CC(C1)CC=C2)=O)C(CC3C(NCC3)=O)C(O)S(=O)(O)=O | InChi: | InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23+/m0/s1 | Definition date: | 2021-02-03 | Last modified: | 2024-09-27 | Release date: | 2021-02-17 | Identifier: | (1R,2S)-2-{[N-({[(1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
|
| Y51 | Name: | (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C22 H35 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C22H35N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h3-4,12-18,21,28H,5-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21+/m0/s1 | Definition date: | 2021-02-03 | Last modified: | 2024-09-27 | Release date: | 2021-02-17 | Identifier: | (2~{S})-2-[[(2~{S})-2-[[(1~{S},2~{S},4~{S})-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
|
| TEM | Name: | N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE | Formula: | C7 H11 N O3 | SMILES: | O=CC=CNCC(O)CC=O | InChi: | InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-5,7-8,11H,2,6H2/b3-1+/t7-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (3R)-3-hydroxy-4-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanal |
|