| BHU | Name: | [[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid | Formula: | C5 H12 B N O3 S | SMILES: | C[CH](CS)C(=O)NCB(O)O | InChi: | InChI=1S/C5H12BNO3S/c1-4(2-11)5(8)7-3-6(9)10/h4,9-11H,2-3H2,1H3,(H,7,8)/t4-/m1/s1 | Synonyms: | (S)-((3-mercapto-2-methylpropanamido)methyl)boronic acid | Definition date: | 2019-02-01 | Last modified: | 2021-03-01 | Release date: | 2019-07-17 | Identifier: | [[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid |
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| BIA | Name: | 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE | Formula: | C20 H20 F3 N3 O5 | SMILES: | [O-][N+](=O)c3c(O)c(O)cc(C(=O)CCN2CCN(c1cc(ccc1)C(F)(F)F)CC2)c3 | InChi: | InChI=1S/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2 | Synonyms: | BIA 3-335 | Definition date: | 2002-07-12 | Last modified: | 2021-03-01 | Identifier: | 1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one |
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| SNP | Name: | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL | Formula: | C16 H21 N O2 | SMILES: | OC(CNC(C)C)COc2cccc1ccccc12 | InChi: | InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1 | Synonyms: | S-PROPRANOLOL | Definition date: | 2000-01-26 | Last modified: | 2021-03-01 | Identifier: | (2S)-1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol |
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| BK4 | Name: | 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C19 H19 N5 O | SMILES: | n1c(c2c(nc1)n(nc2c4cc3ccc(OC)cc3cc4)C(C)C)N | InChi: | InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22) | Synonyms: | RM-1-87 | Definition date: | 2011-07-27 | Last modified: | 2021-03-01 | Identifier: | 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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| BLR | Name: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-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 | Formula: | C33 H36 N4 O6 | SMILES: | CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H36N4O6/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/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14- | Synonyms: | Bilirubin IX alpha | Definition date: | 2015-01-26 | Last modified: | 2021-03-01 | Release date: | 2015-02-04 | Identifier: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-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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| SPP | Name: | (1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | Formula: | C22 H28 N6 O3 S | SMILES: | O=C(c2cc1cc(NS(=O)(=O)C)ccc1n2)N4CCN(c3ncccc3NC(C)C)CC4 | InChi: | InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | Synonyms: | Delavirdine | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide |
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| BN1 | Name: | (S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID | Formula: | C8 H10 N6 O4 | SMILES: | O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C | InChi: | InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17) | Synonyms: | 2-ME-TET-AMPA | Definition date: | 2002-07-11 | Last modified: | 2021-03-01 | Identifier: | 3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5-yl)isoxazol-4-yl]alanine |
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| SRG | Name: | (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid | Formula: | C24 H39 N5 O6 | SMILES: | O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCC=C1)C(C)C)C(C)C)C(C)C | InChi: | InChI=1S/C24H39N5O6/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/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10?/t16-,17+,19+,20+/m1/s1 | Synonyms: | Syringolin A | Definition date: | 2007-11-20 | Last modified: | 2021-03-01 | Identifier: | N-{[(1S)-2-methyl-1-{[(3E,5S,8S,9E)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododeca-3,9-dien-8-yl]carbamoyl}propyl]carbamoyl}-L-valine |
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| G3K | Name: | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid | Formula: | C19 H20 Cl N3 O6 | SMILES: | C1(NC(=NC(=C1O)C(O)=O)C3CCCN3C(=O)C(C)(C)Oc2ccc(Cl)cc2)=O | InChi: | InChI=1S/C19H20ClN3O6/c1-19(2,29-11-7-5-10(20)6-8-11)18(28)23-9-3-4-12(23)15-21-13(17(26)27)14(24)16(25)22-15/h5-8,12,24H,3-4,9H2,1-2H3,(H,26,27)(H,21,22,25)/t12-/m1/s1 | Synonyms: | SRI-29782 | Definition date: | 2017-07-11 | Last modified: | 2021-03-01 | Release date: | 2018-01-03 | Identifier: | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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| SU1 | Name: | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE | Formula: | C17 H16 N2 O3 | SMILES: | O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C | InChi: | InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8- | Synonyms: | SU5402 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid |
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| G90 | Name: | 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile | Formula: | C22 H25 N3 O2 | SMILES: | N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2 | InChi: | InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1 | Synonyms: | BUCINDOLOL | Definition date: | 2012-03-11 | Last modified: | 2021-03-01 | Identifier: | 2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile |
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| 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: | 2021-03-01 | 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 |
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| GAH | Name: | N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE | Formula: | C38 H61 N11 O6 | SMILES: | O=C(NC(C(=O)NC(C(=O)N)CCCCNC(=[N@H])N)Cc1ccc(O)cc1)C4N(C(=O)C(NC(=O)C2CCC(CNC(=[N@H])N)CC2)CC3CCCCC3)CC4 | InChi: | InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26+,28-,29+,30+,31-/m0/s1 | Synonyms: | TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE | Definition date: | 2004-10-14 | Last modified: | 2021-03-01 | Identifier: | N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N~6~-carbamimidoyl-L-lysinamide |
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| GBX | Name: | 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID | Formula: | C30 H27 N3 O9 S | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c2c1ccc5c4c1c(cc2C(=O)C(=O)C3O)ccc4ccc5 | InChi: | InChI=1S/C30H27N3O9S/c31-18(30(41)42)8-9-20(34)33-19(29(40)32-11-21(35)36)12-43-28-24-16-7-6-14-3-1-2-13-4-5-15(23(16)22(13)14)10-17(24)25(37)26(38)27(28)39/h1-7,10,18-19,27-28,39H,8-9,11-12,31H2,(H,32,40)(H,33,34)(H,35,36)(H,41,42)/t18-,19-,27-,28-/m0/s1 | Synonyms: | GLUTATHIONE CONJUGATE OF (+)-ANTI-BPDE | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | L-gamma-glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycine |
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| GCA | Name: | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL | Formula: | C19 H26 N2 O3 | SMILES: | O=C1C(=C(N(C(=O)N1)COCC)Cc2cc(cc(c2)C)C)C(C)C | InChi: | InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23) | Synonyms: | GCA-186 | Definition date: | 1999-07-26 | Last modified: | 2021-03-01 | Identifier: | 6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione |
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| GFT | Name: | (2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid | Formula: | C10 H20 N O5 P | SMILES: | O=C(O)C(N)COP(=O)(OC1CCCCC1)C | InChi: | InChI=1S/C10H20NO5P/c1-17(14,15-7-9(11)10(12)13)16-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-,17-/m0/s1 | Synonyms: | Cyclosarin bound Serine | Definition date: | 2013-02-04 | Last modified: | 2021-03-01 | Release date: | 2013-03-27 | Identifier: | O-[(S)-(cyclohexyloxy)(methyl)phosphoryl]-L-serine |
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| C2N | Name: | 3-chloro-D-alanine | Formula: | C3 H6 Cl N O2 | SMILES: | ClCC(N)C(=O)O | InChi: | InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1 | Synonyms: | 3-CHLOROALANINATE | Definition date: | 2004-08-30 | Last modified: | 2021-03-01 | Identifier: | 3-chloro-D-alanine |
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| T5F | Name: | (2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid | Formula: | C25 H44 N4 O5 S | SMILES: | NCCCC[CH](N[S](=O)(=O)N[CH](CC1CCCCC1)C(=O)NC23CC4CC(CC(C4)C2)C3)C(O)=O | InChi: | InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18-,19+,20-,21-,22-,25-/m0/s1 | Synonyms: | tafCPB | Definition date: | 2016-09-28 | Last modified: | 2021-03-01 | Release date: | 2016-10-26 | Identifier: | (2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid |
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| C4H | Name: | N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE | Formula: | C19 H27 N3 O3 S2 | SMILES: | O=C(NCCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)CCS | InChi: | InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23) | Synonyms: | N-[2-(5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO)BUTHYL]-3-MERCAPTOPROPIONAMIDE | Definition date: | 2005-03-18 | Last modified: | 2021-03-01 | Identifier: | N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]-3-sulfanylpropanamide |
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| T7M | Name: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | Formula: | C46 H82 O16 P2 | SMILES: | O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCC | InChi: | InChI=1S/C46H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h11,13,17,19,21,23,27,29,38,41-46,49-52H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,19-17-,23-21-,29-27-/t38-,41-,42+,43-,44-,45+,46+/m1/s1 | Synonyms: | Phosphatidylinositol-4-phosphate | Definition date: | 2011-07-22 | Last modified: | 2021-03-01 | Identifier: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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| C5R | Name: | (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid | Formula: | C31 H38 N2 O3 | SMILES: | CC(C)c1ccc2c(CC[CH]3[C](C)(CCC[C]23C)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(O)=O)c1 | InChi: | InChI=1S/C31H38N2O3/c1-19(2)20-10-12-24-21(16-20)11-13-27-30(24,3)14-7-15-31(27,4)29(36)33-26(28(34)35)17-22-18-32-25-9-6-5-8-23(22)25/h5-6,8-10,12,16,18-19,26-27,32H,7,11,13-15,17H2,1-4H3,(H,33,36)(H,34,35)/t26-,27+,30+,31+/m0/s1 | Synonyms: | N-Dehydroabietoyl-L-Tryptophan | Definition date: | 2019-04-10 | Last modified: | 2021-03-01 | Release date: | 2020-03-18 | Identifier: | (2~{S})-2-[[(1~{R},4~{a}~{S},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,9,10,10~{a}-hexahydrophenanthren-1-yl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid |
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| C6P | Name: | N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE | Formula: | C11 H17 N2 O7 P S | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CS | InChi: | InChI=1S/C11H17N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2,9,13-14,22H,3-5H2,1H3,(H,15,16)(H2,17,18,19)/t9-/m0/s1 | Synonyms: | 4-((1-CARBOXY-2-THIOL-ETHYLAMINO)-METHYL)-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM | Definition date: | 2006-09-22 | Last modified: | 2021-03-01 | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-cysteine |
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| TAY | Name: | 2,2-dimethylpropanamide | Formula: | C5 H11 N O | SMILES: | CC(C)(C)C(N)=O | InChi: | InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7) | Synonyms: | Trimethylacetamide | Definition date: | 2009-10-07 | Last modified: | 2021-03-01 | Identifier: | 2,2-dimethylpropanamide |
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| TBH | Name: | 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID | Formula: | C31 H47 N3 O9 | SMILES: | O=C(O)c1cc(ccc1OCC(=O)O)CC(NC(O)C(NC(O)OC(C)(C)C)Cc2ccccc2)C(O)NCCCCC | InChi: | InChI=1S/C31H47N3O9/c1-5-6-10-15-32-27(37)23(18-21-13-14-25(42-19-26(35)36)22(16-21)29(39)40)33-28(38)24(17-20-11-8-7-9-12-20)34-30(41)43-31(2,3)4/h7-9,11-14,16,23-24,27-28,30,32-34,37-38,41H,5-6,10,15,17-19H2,1-4H3,(H,35,36)(H,39,40)/t23-,24-,27+,28-,30-/m0/s1 | Synonyms: | PNU177836 | Definition date: | 2001-06-26 | Last modified: | 2021-03-01 | Identifier: | 5-[(2S,3R)-2-{[(1S,2S)-2-{[(S)-tert-butoxy(hydroxy)methyl]amino}-1-hydroxy-3-phenylpropyl]amino}-3-hydroxy-3-(pentylamino)propyl]-2-(carboxymethoxy)benzoic acid |
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| TBL | Name: | N-[(4-methoxyphenyl)sulfonyl]-D-alanine | Formula: | C10 H13 N O5 S | SMILES: | O=C(O)C(NS(=O)(=O)c1ccc(OC)cc1)C | InChi: | InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1 | Synonyms: | (R)-2-(4-methoxyphenylsulfonamido)propanoic acid | Definition date: | 2008-09-18 | Last modified: | 2021-03-01 | Identifier: | N-[(4-methoxyphenyl)sulfonyl]-D-alanine |
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