| 3UB | Name: | propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate | Formula: | C13 H20 N O5 P | SMILES: | O=P(OC(C)C)(O)C(NC(=O)OCc1ccccc1)C | InChi: | InChI=1S/C13H20NO5P/c1-10(2)19-20(16,17)11(3)14-13(15)18-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)(H,16,17)/t11-/m1/s1 | Definition date: | 2011-10-31 | Last modified: | 2024-09-27 | Identifier: | propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate |
|
| SUJ | Name: | (2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID | Formula: | C9 H16 N2 O5 | SMILES: | O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C | InChi: | InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1 | Definition date: | 2003-07-31 | Last modified: | 2024-09-27 | Identifier: | (2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid |
|
| UGE | Name: | 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde | Formula: | C16 H15 N O3 S | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23 | InChi: | InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2 | Definition date: | 2021-02-16 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde |
|
| JVP | Name: | 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide | Formula: | C22 H20 F2 N6 O2 | SMILES: | c3cc(c1nn(c(c1C(=O)N)N)C2CCCN(C#N)C2)ccc3Oc4ccc(cc4F)F | InChi: | InChI=1S/C22H20F2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)/t15-/m1/s1 | Definition date: | 2018-10-04 | Last modified: | 2024-09-27 | Release date: | 2019-01-30 | Identifier: | 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide |
|
| UUH | Name: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol | Formula: | C26 H36 B F2 N5 O4 | SMILES: | Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2CCCCc4cn(C[CH]5[CH](O)C[CH](O)[CH](O)[CH]5O)nn4 | InChi: | InChI=1S/C26H36BF2N5O4/c1-14-9-16(3)33-23(14)19(24-15(2)10-17(4)34(24)27(33,28)29)8-6-5-7-18-12-32(31-30-18)13-20-21(35)11-22(36)26(38)25(20)37/h9-10,12,20-22,25-26,35-38H,5-8,11,13H2,1-4H3/t20-,21-,22-,25+,26+/m0/s1 | Definition date: | 2021-03-19 | Last modified: | 2024-09-27 | Release date: | 2022-03-30 | Identifier: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol |
|
| SGK | Name: | 2-(pyridin-2-ylmethylamino)ethanoic acid | Formula: | C8 H10 N2 O2 | SMILES: | OC(=O)CNCc1ccccn1 | InChi: | InChI=1S/C8H10N2O2/c11-8(12)6-9-5-7-3-1-2-4-10-7/h1-4,9H,5-6H2,(H,11,12) | Definition date: | 2020-11-16 | Last modified: | 2024-09-27 | Release date: | 2021-12-01 | Identifier: | 2-(pyridin-2-ylmethylamino)ethanoic acid |
|
| INP | Name: | 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | Formula: | C31 H43 N5 O6 | SMILES: | O=C(OCc1ccncc1)NC(C(=O)NC3C(=O)CN(CC(NC(=O)OCc2ccccc2)CC(C)C)C3)CC(C)C | InChi: | InChI=1S/C31H43N5O6/c1-21(2)14-25(33-30(39)41-19-23-8-6-5-7-9-23)16-36-17-27(28(37)18-36)34-29(38)26(15-22(3)4)35-31(40)42-20-24-10-12-32-13-11-24/h5-13,21-22,25-27H,14-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26-,27+/m0/s1 | Synonyms: | PYRROLIDINONE | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-{(3R)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxopyrrolidin-3-yl}-N~2~-[(pyridin-4-ylmethoxy)carbonyl]-L-leucinamide |
|
| 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 |
|
| SUN | Name: | O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPHORYL]-L-SERINE | Formula: | C7 H17 N2 O5 P | SMILES: | O=P(OCC)(OCC(N)C(=O)O)N(C)C | InChi: | InChI=1S/C7H17N2O5P/c1-4-13-15(12,9(2)3)14-5-6(8)7(10)11/h6H,4-5,8H2,1-3H3,(H,10,11)/t6-,15+/m0/s1 | Synonyms: | TABUN CONJUGATED SERINE | Definition date: | 2007-01-25 | Last modified: | 2024-09-27 | Identifier: | O-[(R)-(dimethylamino)(ethoxy)phosphoryl]-L-serine |
|
| VPF | Name: | N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide | Formula: | C22 H32 N3 O8 P | SMILES: | O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2 | InChi: | InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18-,20-/m0/s1 | Definition date: | 2012-02-10 | Last modified: | 2024-09-27 | Release date: | 2013-01-18 | Identifier: | N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide |
|
| SGL | Name: | 1-HYDROXY-1-THIO-GLYCEROL | Formula: | C3 H8 O3 S | SMILES: | OCC(O)CSO | InChi: | InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (2R)-2,3-dihydroxypropane-1-sulfenic acid |
|
| XZ6 | Name: | 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one | Formula: | C8 H9 N2 O2 S | SMILES: | Cc1csc2N=C(CO)CC(=O)[n]12 | InChi: | InChI=1S/C8H9N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h4,11H,2-3H2,1H3 | Definition date: | 2023-11-14 | Last modified: | 2024-09-27 | Release date: | 2024-02-14 | Identifier: | 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
|
| YVV | Name: | N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Formula: | C35 H44 N4 O7 | SMILES: | C#CCOCCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C35H44N4O7/c1-3-20-45-21-18-31(40)38-29(22-25-11-7-5-8-12-25)35(44)39-30(23-26-13-9-6-10-14-26)34(43)37-28(15-16-32(41)46-4-2)24-27-17-19-36-33(27)42/h1,5-14,27-30H,4,15-24H2,2H3,(H,36,42)(H,37,43)(H,38,40)(H,39,44)/t27-,28+,29+,30-/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2024-09-27 | Release date: | 2022-10-12 | Identifier: | N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide |
|
| ZK2 | Name: | (2-methylphenyl)methanol | Formula: | C8 H10 O | SMILES: | Cc1ccccc1CO | InChi: | InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3 | Definition date: | 2023-06-27 | Last modified: | 2024-09-27 | Release date: | 2023-11-15 | Identifier: | (2-methylphenyl)methanol |
|
| UUK | Name: | tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate | Formula: | C29 H41 N3 O4 | SMILES: | CC(C)C[CH](NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2 | InChi: | InChI=1S/C29H41N3O4/c1-22(2)19-25(31-28(35)36-29(3,4)5)27(34)30-18-12-17-26(33)32(20-23-13-8-6-9-14-23)21-24-15-10-7-11-16-24/h6-11,13-16,22,25H,12,17-21H2,1-5H3,(H,30,34)(H,31,35)/t25-/m0/s1 | Synonyms: | ~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Definition date: | 2021-03-19 | Last modified: | 2024-09-27 | Release date: | 2021-09-08 | Identifier: | ~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
|
| SGM | Name: | MONOTHIOGLYCEROL | Formula: | C3 H8 O2 S | SMILES: | OCC(O)CS | InChi: | InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (2R)-3-sulfanylpropane-1,2-diol |
|
| INS | Name: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE | Formula: | C6 H12 O6 | SMILES: | OC1C(O)C(O)C(O)C(O)C1O | InChi: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- | Synonyms: | MYO-INOSITOL | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol |
|
| U2X | Name: | O-(cyclohexylmethyl)-L-tyrosine | Formula: | C16 H23 N O3 | SMILES: | O=C(O)C(N)Cc2ccc(OCC1CCCCC1)cc2 | InChi: | InChI=1S/C16H23NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,17H2,(H,18,19)/t15-/m0/s1 | Definition date: | 2012-01-12 | Last modified: | 2024-09-27 | Identifier: | O-(cyclohexylmethyl)-L-tyrosine |
|
| S1B | Name: | 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one | Formula: | C15 H19 B N2 O4 | SMILES: | CN1CCN(C(=O)c2ccc3COB(O)c3c2)C(C)(C)C1=O | InChi: | InChI=1S/C15H19BN2O4/c1-15(2)14(20)17(3)6-7-18(15)13(19)10-4-5-11-9-22-16(21)12(11)8-10/h4-5,8,21H,6-7,9H2,1-3H3 | Synonyms: | 1,3,3-trimethyl-4-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonyl]piperazin-2-one | Definition date: | 2020-11-04 | Last modified: | 2024-09-27 | Release date: | 2021-08-11 | Identifier: | 1,3,3-trimethyl-4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonyl]piperazin-2-one |
|
| VPI | Name: | [(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate | Formula: | C17 H34 N3 O8 P | SMILES: | CC(=O)NCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C17H34N3O8P/c1-13(21)18-9-6-4-5-7-10-19-14(22)8-11-20-16(24)15(23)17(2,3)12-28-29(25,26)27/h15,23H,4-12H2,1-3H3,(H,18,21)(H,19,22)(H,20,24)(H2,25,26,27)/t15-/m0/s1 | Definition date: | 2023-08-02 | Last modified: | 2024-09-27 | Release date: | 2023-11-01 | Identifier: | [(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
|
| YVY | Name: | N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide | Formula: | C31 H39 N5 O6 | SMILES: | CC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCOCC#C)Cc1ccccc1 | InChi: | InChI=1S/C31H39N5O6/c1-3-18-42-19-16-28(38)34-26(20-23-11-6-4-7-12-23)29(39)36-27(21-24-13-8-5-9-14-24)30(40)35-25(22(2)37)15-10-17-33-31(32)41/h1,4-9,11-14,25-27H,10,15-21H2,2H3,(H,34,38)(H,35,40)(H,36,39)(H3,32,33,41)/t25-,26+,27-/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2024-09-27 | Release date: | 2022-10-12 | Identifier: | N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide |
|
| 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 |
|
| VAU | Name: | (1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid | Formula: | C8 H14 O6 | SMILES: | C[C]1(O)C[C](O)(C[CH](O)[CH]1O)C(O)=O | InChi: | InChI=1S/C8H14O6/c1-7(13)3-8(14,6(11)12)2-4(9)5(7)10/h4-5,9-10,13-14H,2-3H2,1H3,(H,11,12)/t4-,5+,7-,8-/m1/s1 | Definition date: | 2015-03-30 | Last modified: | 2024-09-27 | Release date: | 2015-07-15 | Identifier: | (1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid |
|
| YVZ | Name: | (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C24 H37 F3 N4 O4 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | InChi: | InChI=1S/C24H37F3N4O4/c1-7-13(10-12-8-9-28-18(12)32)29-19(33)16-15-14(23(15,5)6)11-31(16)20(34)17(22(2,3)4)30-21(35)24(25,26)27/h12-17H,7-11H2,1-6H3,(H,28,32)(H,29,33)(H,30,35)/t12-,13+,14-,15-,16-,17+/m0/s1 | Definition date: | 2023-02-24 | Last modified: | 2024-09-27 | Release date: | 2024-07-24 | Identifier: | (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide |
|
| U2Y | Name: | {4-[ethyl(methyl)carbamoyl]phenyl}boronic acid | Formula: | C10 H14 B N O3 | SMILES: | N(C)(CC)C(=O)c1ccc(B(O)O)cc1 | InChi: | InChI=1S/C10H14BNO3/c1-3-12(2)10(13)8-4-6-9(7-5-8)11(14)15/h4-7,14-15H,3H2,1-2H3 | Definition date: | 2020-04-10 | Last modified: | 2024-09-27 | Release date: | 2020-04-22 | Identifier: | {4-[ethyl(methyl)carbamoyl]phenyl}boronic acid |
|