 | | IYT | | Name: | N-ALPHA-ACETYL-3,5-DIIODOTYROSYL-D-THREONINE | | Formula: | C15 H18 I2 N2 O6 | | SMILES: | Ic1cc(cc(I)c1O)CC(C(=O)NC(C(=O)O)C(O)C)NC(=O)C | | InChi: | InChI=1S/C15H18I2N2O6/c1-6(20)12(15(24)25)19-14(23)11(18-7(2)21)5-8-3-9(16)13(22)10(17)4-8/h3-4,6,11-12,20,22H,5H2,1-2H3,(H,18,21)(H,19,23)(H,24,25)/t6-,11+,12-/m1/s1 | | Synonyms: | THREONINE DERIVATIVE | | Definition date: | 2004-03-03 | | Last modified: | 2020-06-17 | | Identifier: | N-acetyl-3,5-diiodo-L-tyrosyl-D-allothreonine |
|
 | | TY0 | | Name: | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one | | Formula: | C14 H21 N O3 | | SMILES: | O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1 | | InChi: | InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)8-12(15)13(17)9-16/h4-7,12,16H,8-9,15H2,1-3H3/t12-/m0/s1 | | Synonyms: | Z-Phe-Tyr(OBut)-COCHO | | Definition date: | 2010-11-01 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one |
|
 | | TZY | | Name: | 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE | | Formula: | C18 H15 F N4 O | | SMILES: | Fc4ccc(c1ncoc1c3ccc2nnc(n2c3)C(C)C)cc4 | | InChi: | InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3 | | Synonyms: | TRIAZOLOPYRIDINE | | Definition date: | 2005-06-16 | | Last modified: | 2020-06-17 | | Identifier: | 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridine |
|
 | | U11 | | Name: | METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE | | Formula: | C16 H20 F3 N3 O5 | | SMILES: | FC(F)(F)c1ccc(cc1)C(N)C(O)C(=O)NC(C(=O)NCC(=O)OC)C | | InChi: | InChI=1S/C16H20F3N3O5/c1-8(14(25)21-7-11(23)27-2)22-15(26)13(24)12(20)9-3-5-10(6-4-9)16(17,18)19/h3-6,8,12-13,24H,7,20H2,1-2H3,(H,21,25)(H,22,26)/t8-,12+,13-/m0/s1 | | Synonyms: | {2-[3-AMINO-2-HYDROXY-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-ACETIC ACID METHYL ESTER | | Definition date: | 2006-04-03 | | Last modified: | 2020-06-17 | | Identifier: | methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}-L-alanylglycinate |
|
 | | U15 | | Name: | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE | | Formula: | C20 H31 N3 O5 | | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C)C)CC(C)C | | InChi: | InChI=1S/C20H31N3O5/c1-11(2)10-15(20(27)28-5)23-18(25)13(4)22-19(26)17(24)16(21)14-8-6-12(3)7-9-14/h6-9,11,13,15-17,24H,10,21H2,1-5H3,(H,22,26)(H,23,25)/t13-,15+,16+,17-/m0/s1 | | Synonyms: | 2-[2-(3-AMINO-2-HYDROXY-3-P-TOLYL-PROPIONYLAMINO)-PROPIONYLAMINO]-4-METHYL-PENTANOIC ACID METHYL ESTER | | Definition date: | 2006-04-03 | | Last modified: | 2020-06-17 | | Identifier: | methyl N-[(2S,3R)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-L-alanyl-D-leucinate |
|
 | | U17 | | Name: | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-L-SERYL-L-LEUCINATE | | Formula: | C17 H33 N3 O6 | | SMILES: | O=C(NC(C(=O)OC)CC(C)C)C(NC(=O)C(O)C(N)CCCC)CO | | InChi: | InChI=1S/C17H33N3O6/c1-5-6-7-11(18)14(22)16(24)20-13(9-21)15(23)19-12(8-10(2)3)17(25)26-4/h10-14,21-22H,5-9,18H2,1-4H3,(H,19,23)(H,20,24)/t11-,12+,13+,14+/m1/s1 | | Synonyms: | 2-[2-(3-AMINO-2-HYDROXY-HEPTANOYLAMINO)-3-HYDROXY-PROPIONYLAMINO]-4-METHYL-PENTANOIC ACID METHYL ESTER | | Definition date: | 2006-04-03 | | Last modified: | 2020-06-17 | | Identifier: | methyl N-[(2S,3R)-3-amino-2-hydroxyheptanoyl]-L-seryl-L-leucinate |
|
 | | U32 | | Name: | 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE | | Formula: | C12 H15 N3 O2 S2 | | SMILES: | O=S(=O)(N)c2ccc(Nc1ncc(s1)C(C)C)cc2 | | InChi: | InChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17) | | Synonyms: | PNU-230032 | | Definition date: | 2005-06-06 | | Last modified: | 2020-06-17 | | Identifier: | 4-{[5-(1-methylethyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide |
|
 | | UC2 | | Name: | N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE | | Formula: | C17 H19 Cl N2 O2 S | | SMILES: | S=C(Nc1cc(C=NOC(C)(C)C)c(Cl)cc1)c2c(occ2)C | | InChi: | InChI=1S/C17H19ClN2O2S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4/h5-10H,1-4H3,(H,20,23)/b19-10+ | | Synonyms: | UC10 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbothioamide |
|
 | | UC3 | | Name: | 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE | | Formula: | C14 H18 Cl N O3 S | | SMILES: | O=C(OC(C)C)c1cc(ccc1Cl)NC(=S)OC(C)C | | InChi: | InChI=1S/C14H18ClNO3S/c1-8(2)18-13(17)11-7-10(5-6-12(11)15)16-14(20)19-9(3)4/h5-9H,1-4H3,(H,16,20) | | Synonyms: | UC38 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 1-methylethyl 2-chloro-5-{[(1-methylethoxy)carbonothioyl]amino}benzoate |
|
 | | UC4 | | Name: | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE | | Formula: | C16 H18 Cl N O4 S | | SMILES: | O=C(C=1SCCOC=1C)Nc2cc(C(=O)OC(C)C)c(Cl)cc2 | | InChi: | InChI=1S/C16H18ClNO4S/c1-9(2)22-16(20)12-8-11(4-5-13(12)17)18-15(19)14-10(3)21-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,19) | | Synonyms: | UC84 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 1-methylethyl 2-chloro-5-{[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonyl]amino}benzoate |
|
 | | UE1 | | Name: | (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-
1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate | | Formula: | C23 H27 N10 O13 S2 | | SMILES: | O=C1N(C(=NN1S(=O)(=O)NC(=O)NCC(C=O)NC(=O)C(=NOC(C([O-])=O)(C)C)/c2nc(sc2)N)c3ncc(O)c(O)c3)CC(O)CO | | InChi: | InChI=1S/C23H28N10O13S2/c1-23(2,19(40)41)46-30-16(13-9-47-20(24)28-13)18(39)27-10(7-34)4-26-21(42)31-48(44,45)33-22(43)32(6-11(36)8-35)17(29-33)12-3-14(37)15(38)5-25-12/h3,5,7,9-11,35-36,38H,4,6,8H2,1-2H3,(H2,24,28)(H,25,37)(H,27,39)(H,40,41)(H2,26,31,42)/p-1/b30-16-/t10-,11+/m0/s1 | | Synonyms: | MC-1 (open form) | | Definition date: | 2011-11-14 | | Last modified: | 2020-06-17 | | Identifier: | (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate |
|
 | | 9V1 | | Name: | 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]
methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]pro
panoic acid | | Formula: | C33 H40 N4 O6 | | SMILES: | CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | | 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/h8,19-20,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41)/t19-,20-/m1/s1 | | Synonyms: | Billeverdin IXa, bound form | | Definition date: | 2017-06-13 | | Last modified: | 2020-06-17 | | Release date: | 2017-06-21 | | Identifier: | 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
|
 | | 42G | | Name: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide | | Formula: | C21 H29 N3 O5 S | | SMILES: | c1(S(=O)(=O)N)ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(O)CNC(C)C | | InChi: | InChI=1S/C21H29N3O5S/c1-15(2)24-13-18(25)14-29-19-7-5-17(6-8-19)21(26)23-12-11-16-3-9-20(10-4-16)30(22,27)28/h3-10,15,18,24-25H,11-14H2,1-2H3,(H,23,26)(H2,22,27,28)/t18-/m1/s1 | | Synonyms: | aryloxy-2-hydroxypropylammine sulfonamide | | Definition date: | 2017-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-01 | | Identifier: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide |
|
 | | 433 | | Name: | 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC
ACID | | Formula: | C28 H28 Cl3 F N2 O4 | | SMILES: | Clc3c(NC(=O)N(CCc1c(F)cccc1Cl)CCCc2ccc(OC(C(=O)O)(C)C)cc2)cccc3Cl | | InChi: | InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36) | | Synonyms: | GW2433 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-[4-(3-{[2-(2-chloro-6-fluorophenyl)ethyl][(2,3-dichlorophenyl)carbamoyl]amino}propyl)phenoxy]-2-methylpropanoic acid |
|
 | | 43Y | | Name: | [(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate | | Formula: | C14 H29 N O8 P | | SMILES: | O=C(OCC(OC(=O)CC)COP(=O)(OCC[N+](C)(C)C)O)CC | | InChi: | InChI=1S/C14H28NO8P/c1-6-13(16)20-10-12(23-14(17)7-2)11-22-24(18,19)21-9-8-15(3,4)5/h12H,6-11H2,1-5H3/p+1/t12-/m1/s1 | | Synonyms: | 1,2-dipropionyl-sn-glycero-3-phosphocholine | | Definition date: | 2015-02-03 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-03 | | Identifier: | (4S,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(propanoyloxy)-3,5,9-trioxa-4-phosphadodecan-1-aminium 4-oxide |
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 | | 9XX | | Name: | (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate | | Formula: | C38 H74 O4 | | SMILES: | C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C | | InChi: | InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1 | | Synonyms: | (S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate | | Definition date: | 2018-08-29 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-14 | | Identifier: | (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate |
|
 | | 44I | | Name: | 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy
rrolidin-3-yl}naphthalene-2-sulfonamide | | Formula: | C27 H36 Cl N5 O4 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)NC3C(=O)N(CC3)C(C(=O)N4CC5CC(C4)CN(C5)CCNC)C | | InChi: | InChI=1S/C27H36ClN5O4S/c1-18(26(34)32-16-19-11-20(17-32)15-31(14-19)10-8-29-2)33-9-7-25(27(33)35)30-38(36,37)24-6-4-21-12-23(28)5-3-22(21)13-24/h3-6,12-13,18-20,25,29-30H,7-11,14-17H2,1-2H3/t18-,19-,20+,25-/m0/s1 | | Synonyms: | GTC000441 | | Definition date: | 2015-02-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide |
|
 | | A03 | | Name: | (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido
propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide | | Formula: | C37 H63 N17 O9 | | SMILES: | O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)C)CCCNC(=[N@H])N)CCCNC(=[N@H])N | | InChi: | InChI=1S/C37H63N17O9/c1-20(51-23(55)12-4-2-7-15-45-34(62)28-26(57)27(58)35(63-28)54-19-50-25-29(38)48-18-49-31(25)54)32(60)44-14-6-3-5-13-24(56)52-22(11-9-17-47-37(42)43)33(61)53-21(30(39)59)10-8-16-46-36(40)41/h18-22,26-28,35,57-58H,2-17H2,1H3,(H2,39,59)(H,44,60)(H,45,62)(H,51,55)(H,52,56)(H,53,61)(H2,38,48,49)(H4,40,41,46)(H4,42,43,47)/t20-,21-,22-,26+,27-,28+,35-/m1/s1 | | Synonyms: | ARC-1039 | | Definition date: | 2010-05-27 | | Last modified: | 2020-06-17 | | Identifier: | (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name) |
|
 | | 48W | | Name: | 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf
onamide | | Formula: | C23 H27 Cl N4 O5 S | | SMILES: | O=C4N(C)CCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c2cc1ccc(Cl)cc1cc2)CC3)C)CC4 | | InChi: | InChI=1S/C23H27ClN4O5S/c1-15(22(30)27-9-8-21(29)26(2)11-12-27)28-10-7-20(23(28)31)25-34(32,33)19-6-4-16-13-18(24)5-3-17(16)14-19/h3-6,13-15,20,25H,7-12H2,1-2H3/t15-,20-/m0/s1 | | Synonyms: | GTC000398 | | Definition date: | 2015-02-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide |
|
 | | 493 | | Name: | {4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID | | Formula: | C32 H36 N3 O9 P | | SMILES: | O=C(O)COc1ccc(cc1P(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | | InChi: | InChI=1S/C32H36N3O9P/c1-21(36)33-27(17-23-12-15-28(44-20-30(37)38)29(18-23)45(41,42)43)31(39)34-26-9-5-6-16-35(32(26)40)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,18,26-27H,5-6,9,16-17,19-20H2,1H3,(H,33,36)(H,34,39)(H,37,38)(H2,41,42,43)/t26-,27-/m0/s1 | | Synonyms: | RU85493 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | {4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-phosphonophenoxy}acetic acid |
|
 | | 4AG | | Name: | (2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE | | Formula: | C35 H68 O5 | | SMILES: | O=C(OC(COC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1 | | Synonyms: | SN-1,2-DIPALMITOYL DIACYLGLYCEROL | | Definition date: | 2011-03-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-hydroxypropane-1,2-diyl dihexadecanoate |
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 | | 4D7 | | Name: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine | | Formula: | C16 H15 N3 O4 | | SMILES: | O=C(NC(C(=O)O)Cc2nc1ccccc1n2)c3c(occ3)C | | InChi: | InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1 | | Synonyms: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-furan-3-carbonyl)-amino]-propionic acid | | Definition date: | 2009-10-22 | | Last modified: | 2020-06-17 | | Identifier: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine |
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 | | 4D9 | | Name: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine | | Formula: | C19 H15 N3 O3 S | | SMILES: | O=C(O)C(NC(=O)c2sc1ccccc1c2)Cc4nc3ccccc3n4 | | InChi: | InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1 | | Synonyms: | (R)-2-[(Benzo[b]thiophene-2-carbonyl)-amino]-3-(1H-benzoimidazol-2-yl)-propionic acid | | Definition date: | 2009-10-22 | | Last modified: | 2020-06-17 | | Identifier: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine |
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 | | FEC | | Name: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX | | Formula: | C36 H36 Fe N4 O8 | | SMILES: | O=C(O)CCC1=C(C7=[N+]3C1=Cc5c(c(c6C=C8[N+]4=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O)O)C)C(=C8C)CCC(=O)O)C)CCC(=O)O)C | | InChi: | InChI=1S/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29 | | Synonyms: | FE-COPROPORPHYRIN III | | Definition date: | 2003-01-31 | | Last modified: | 2020-06-17 | | Identifier: | [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(2-)]iron(2+) |
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 | | 4DH | | Name: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine | | Formula: | C21 H19 N5 O3 | | SMILES: | O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4nc3ccccc3n4 | | InChi: | InChI=1S/C21H19N5O3/c1-26-18(11-16(25-26)13-7-3-2-4-8-13)20(27)24-17(21(28)29)12-19-22-14-9-5-6-10-15(14)23-19/h2-11,17H,12H2,1H3,(H,22,23)(H,24,27)(H,28,29)/t17-/m1/s1 | | Synonyms: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-5-phenyl-2H-pyrazole-3-carbonyl)-amino]-propionic acid | | Definition date: | 2009-10-23 | | Last modified: | 2020-06-17 | | Identifier: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine |
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