 | | YFZ | | Name: | (-)-Galantinic acid | | Formula: | C7 H15 N O5 | | SMILES: | N[CH](CO)[CH](O)C[CH](O)CC(O)=O | | InChi: | InChI=1S/C7H15NO5/c8-5(3-9)6(11)1-4(10)2-7(12)13/h4-6,9-11H,1-3,8H2,(H,12,13)/t4-,5-,6-/m0/s1 | | Synonyms: | (3S,5S,6S)-6-azanyl-3,5,7-tris(oxidanyl)heptanoic acid | | Definition date: | 2023-12-04 | | Last modified: | 2024-09-27 | | Release date: | 2024-07-24 | | Identifier: | (3~{S},5~{S},6~{S})-6-azanyl-3,5,7-tris(oxidanyl)heptanoic acid |
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 | | S0Q | | Name: | 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid | | Formula: | C17 H20 B N3 O7 | | SMILES: | CN1CCN(CC1=O)C(=O)CNC(=O)c2ccc3[CH](CC(O)=O)OB(O)c3c2 | | InChi: | InChI=1S/C17H20BN3O7/c1-20-4-5-21(9-15(20)23)14(22)8-19-17(26)10-2-3-11-12(6-10)18(27)28-13(11)7-16(24)25/h2-3,6,13,27H,4-5,7-9H2,1H3,(H,19,26)(H,24,25)/t13-/m0/s1 | | Synonyms: | 2-[(3S)-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid | | Definition date: | 2020-11-04 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-11 | | Identifier: | 2-[(3~{S})-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid |
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 | | TNQ | | Name: | 6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan | | Formula: | C13 H15 N3 O5 | | SMILES: | NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O | | InChi: | InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1 | | Definition date: | 2018-08-16 | | Last modified: | 2024-09-27 | | Release date: | 2019-01-16 | | Identifier: | 6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan |
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 | | ZZU | | Name: | (2S,3S)-3-HYDROXYARGININE | | Formula: | C6 H14 N4 O3 | | SMILES: | O=C(O)C(N)C(O)CCNC(=[N@H])N | | InChi: | InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1 | | Definition date: | 2009-03-02 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name) |
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 | | VOX | | Name: | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide | | Formula: | C35 H52 N6 O6 | | SMILES: | C[CH](O)[CH](NC(=O)CCCCCCc1ccc(NNc2ccc(C)cc2)cc1)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O | | InChi: | InChI=1S/C35H52N6O6/c1-23-10-15-27(16-11-23)40-41-28-17-13-26(14-18-28)8-6-4-5-7-9-32(45)39-33(25(3)42)35(47)38-30-22-29(43)20-21-36-31(44)19-12-24(2)37-34(30)46/h10-11,13-18,24-25,29-30,33,40-43H,4-9,12,19-22H2,1-3H3,(H,36,44)(H,37,46)(H,38,47)(H,39,45)/t24-,25+,29-,30-,33-/m0/s1 | | Definition date: | 2023-03-22 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-27 | | Identifier: | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide |
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 | | X2I | | Name: | (15,16)-DIHYDROBILIVERDIN (SINGLY LINKED) | | Formula: | C33 H40 N4 O6 | | SMILES: | O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1CCC(=O)O | | InChi: | InChI=1S/C33H40N4O6/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/h8,14,26,34-35H,2,7,9-13,15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-/t26-/m1/s1 | | Synonyms: | 3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid | | Definition date: | 2023-10-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-25 | | Identifier: | 3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid |
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 | | 3TY | | Name: | 3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE | | Formula: | C16 H17 N3 O4 | | SMILES: | O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N | | InChi: | InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1 | | Definition date: | 2004-08-11 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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 | | YVA | | Name: | ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | Formula: | C28 H35 N3 O5 | | SMILES: | C#Cc1ccc(cc1)/C=C/C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | | InChi: | InChI=1S/C28H35N3O5/c1-3-19-5-7-20(8-6-19)11-13-25(32)31-24(17-21-9-10-21)28(35)30-23(12-14-26(33)36-4-2)18-22-15-16-29-27(22)34/h1,5-8,11,13,21-24H,4,9-10,12,14-18H2,2H3,(H,29,34)(H,30,35)(H,31,32)/b13-11+/t22-,23+,24-/m0/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2022-10-12 | | Identifier: | ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
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 | | VOY | | Name: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide | | Formula: | C31 H30 N8 O3 | | SMILES: | CCOc2cc1ncc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(c(cc3)Oc5cc4ncnn4cc5)C)C#N | | InChi: | InChI=1S/C31H30N8O3/c1-5-41-28-16-25-24(15-26(28)37-30(40)7-6-11-38(3)4)31(21(17-32)18-33-25)36-22-8-9-27(20(2)13-22)42-23-10-12-39-29(14-23)34-19-35-39/h6-10,12-16,18-19H,5,11H2,1-4H3,(H,33,36)(H,37,40)/b7-6+ | | Definition date: | 2020-08-31 | | Last modified: | 2024-09-27 | | Release date: | 2021-09-08 | | Identifier: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide |
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 | | S0R | | Name: | (2S)-2-benzamido-4-methyl-pentanoic acid | | Formula: | C13 H17 N O3 | | SMILES: | CC(C)C[CH](NC(=O)c1ccccc1)C(O)=O | | InChi: | InChI=1S/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1 | | Definition date: | 2023-04-07 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-19 | | Identifier: | (2~{S})-2-benzamido-4-methyl-pentanoic acid |
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 | | XYP | | Name: | beta-D-xylopyranose | | Formula: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1 | | Synonyms: | beta-D-xylose | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | beta-D-xylopyranose |
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 | | INA | | Name: | 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE | | Formula: | C29 H40 N6 O7 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NNC(=O)NNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C | | InChi: | InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | benzyl [(1S,9S)-1,9-bis(2-methylpropyl)-2,5,8,11-tetraoxo-13-phenyl-12-oxa-3,4,6,7,10-pentaazatridec-1-yl]carbamate (non-preferred name) |
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 | | WLU | | Name: | (4R)-5-hydroxy-N-methyl-L-leucine | | Formula: | C7 H15 N O3 | | SMILES: | O=C(O)C(NC)CC(C)CO | | InChi: | InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1 | | Definition date: | 2013-06-18 | | Last modified: | 2024-09-27 | | Release date: | 2013-09-18 | | Identifier: | (4R)-5-hydroxy-N-methyl-L-leucine |
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 | | 3U0 | | Name: | 2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid | | Formula: | C10 H13 N3 O2 | | SMILES: | NC(=N)NCc1ccc(CC(O)=O)cc1 | | InChi: | InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-7(2-4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13) | | Synonyms: | 2-[4-[(diaminomethylideneamino)methyl]phenyl]acetic acid | | Definition date: | 2014-10-24 | | Last modified: | 2024-09-27 | | Release date: | 2022-10-19 | | Identifier: | 2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid |
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 | | XYQ | | Name: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE | | Formula: | C17 H25 N5 O15 P2 | | SMILES: | O=C(OC1OC(C(O)C1O)COP(=O)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C | | InChi: | InChI=1S/C17H25N5O15P2/c1-6(23)34-17-13(27)11(25)8(36-17)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1 | | Synonyms: | ACETYL-RIBOSYL-ADP | | Definition date: | 2006-07-13 | | Last modified: | 2024-09-27 | | Identifier: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate (non-preferred name) |
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 | | UG2 | | Name: | [4-(2-phenylimidazol-1-yl)phenyl]methanol | | Formula: | C16 H14 N2 O | | SMILES: | OCc1ccc(cc1)n2ccnc2c3ccccc3 | | InChi: | InChI=1S/C16H14N2O/c19-12-13-6-8-15(9-7-13)18-11-10-17-16(18)14-4-2-1-3-5-14/h1-11,19H,12H2 | | Definition date: | 2021-02-16 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | [4-(2-phenylimidazol-1-yl)phenyl]methanol |
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 | | XHZ | | Name: | 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde | | Formula: | C13 H8 O2 | | SMILES: | C#Cc1cc2ccc(O)c(C=O)c2cc1 | | InChi: | InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H | | Definition date: | 2023-06-06 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-13 | | Identifier: | 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde |
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 | | SU8 | | Name: | (2R)-2-butylbutanedioic acid | | Formula: | C8 H14 O4 | | SMILES: | O=C(O)C(CC(=O)O)CCCC | | InChi: | InChI=1S/C8H14O4/c1-2-3-4-6(8(11)12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)/t6-/m1/s1 | | Synonyms: | (2R)-2-butylsuccinic acid | | Definition date: | 2014-07-25 | | Last modified: | 2024-09-27 | | Release date: | 2014-08-20 | | Identifier: | (2R)-2-butylbutanedioic acid |
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 | | INC | | Name: | 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER | | Formula: | C9 H17 N O4 | | SMILES: | O=C(N(O)C(C(=O)OC)CC(C)C)C | | InChi: | InChI=1S/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | methyl N-acetyl-N-hydroxy-D-leucinate |
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 | | VP1 | | Name: | Fluorenylmethyloxycarbonyl chloride | | Formula: | C15 H11 Cl O2 | | SMILES: | ClC(=O)OCC1c2ccccc2c3ccccc13 | | InChi: | InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2 | | Definition date: | 2023-03-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-02-21 | | Identifier: | 9~{H}-fluoren-9-ylmethyl carbonochloridate |
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 | | YVD | | Name: | 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide | | Formula: | C29 H36 F2 N4 O5 | | SMILES: | Fc1ccc(cc1)CC(N)C(=O)NC(Cc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | | InChi: | InChI=1S/C29H36F2N4O5/c1-2-40-26(36)12-11-23(17-20-13-14-33-27(20)37)34-29(39)25(16-19-5-9-22(31)10-6-19)35-28(38)24(32)15-18-3-7-21(30)8-4-18/h3-10,20,23-25H,2,11-17,32H2,1H3,(H,33,37)(H,34,39)(H,35,38)/t20-,23+,24+,25-/m0/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2022-10-12 | | Identifier: | 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide |
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 | | 3U2 | | Name: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide | | Formula: | C14 H19 N O4 | | SMILES: | O=C(NC1C(C(O)C(O)C(O)C1)C)c2ccccc2 | | InChi: | InChI=1S/C14H19NO4/c1-8-10(7-11(16)13(18)12(8)17)15-14(19)9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13+/m1/s1 | | Definition date: | 2014-10-29 | | Last modified: | 2024-09-27 | | Release date: | 2014-11-12 | | Identifier: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide |
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 | | XYS | | Name: | alpha-D-xylopyranose | | Formula: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1 | | Synonyms: | alpha-D-xylose | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | alpha-D-xylopyranose |
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 | | VAD | | Name: | DEAMINOHYDROXYVALINE | | Formula: | C5 H10 O3 | | SMILES: | O=C(O)C(O)C(C)C | | InChi: | InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-hydroxy-3-methylbutanoic acid |
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 | | UU4 | | Name: | (2S)-2-amino-4-(L-serylamino)butanoic acid | | Formula: | C7 H15 N3 O4 | | SMILES: | O=C(NCCC(C(=O)O)N)C(N)CO | | InChi: | InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1 | | Definition date: | 2012-11-14 | | Last modified: | 2024-09-27 | | Release date: | 2013-08-21 | | Identifier: | (2S)-2-amino-4-(L-serylamino)butanoic acid |
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