 | | RTE | | Name: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid | | Formula: | C22 H16 Cl F N2 O4 | | SMILES: | c1(c(F)cc(cc1)Oc2cc3c(cc2)nc(n3C)COc4cc(ccc4)C(O)=O)Cl | | InChi: | InChI=1S/C22H16ClFN2O4/c1-26-20-11-16(30-15-5-7-17(23)18(24)10-15)6-8-19(20)25-21(26)12-29-14-4-2-3-13(9-14)22(27)28/h2-11H,12H2,1H3,(H,27,28) | | Synonyms: | 4-[[6-(4-chloro-3-fluoro-phenoxy)-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid | | Definition date: | 2018-01-30 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-17 | | Identifier: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid |
|
 | | 3FP | | Name: | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | | Formula: | C22 H23 F4 N5 O2 | | SMILES: | FC(F)(F)c1cc(c(F)cc1)Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3 | | InChi: | InChI=1S/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)/t16-/m1/s1 | | Synonyms: | 1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | | Definition date: | 2002-06-11 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol |
|
 | | 3FR | | Name: | 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide | | Formula: | C28 H24 Cl N5 O | | SMILES: | O=C(N)c1ccccc1c2cc(cc(Cl)c2)n5nc(c3c5cc(nc3)NC(c4ccccc4)C)C | | InChi: | InChI=1S/C28H24ClN5O/c1-17(19-8-4-3-5-9-19)32-27-15-26-25(16-31-27)18(2)33-34(26)22-13-20(12-21(29)14-22)23-10-6-7-11-24(23)28(30)35/h3-17H,1-2H3,(H2,30,35)(H,31,32)/t17-/m0/s1 | | Synonyms: | 3'-chloro-5'-[3-methyl-6-(1-phenyl-ethylamino)-pyrazolo[4,3-c]pyridin-1-yl]-biphenyl-2-carboxylic acid amide | | Definition date: | 2008-06-16 | | Last modified: | 2020-06-17 | | Identifier: | 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide |
|
 | | RUN | | Name: | 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE | | Formula: | C38 H46 N4 O5 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(O)CC(c2ncc(n2)C(=O)C(C)C)Cc3ccccc3)Cc4ccccc4)C(C)C | | InChi: | InChI=1S/C38H46N4O5/c1-25(2)34(42-38(46)47-24-29-18-12-7-13-19-29)37(45)41-31(21-28-16-10-6-11-17-28)33(43)22-30(20-27-14-8-5-9-15-27)36-39-23-32(40-36)35(44)26(3)4/h5-19,23,25-26,30-31,33-34,43H,20-22,24H2,1-4H3,(H,39,40)(H,41,45)(H,42,46)/t30-,31+,33+,34+/m1/s1 | | Synonyms: | SB206343 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-{(1S,2S,4R)-1-benzyl-2-hydroxy-4-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-5-phenylpentyl}-N~2~-[(benzyloxy)carbonyl]-L-valinamide |
|
 | | 3GO | | Name: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri
le | | Formula: | C28 H26 N8 O4 | | SMILES: | N#Cc1ccc(cc1)COCC6OC(n3c(nc2c(ncnc23)N)NCc5cc4cccnc4cc5)C(O)C6O | | InChi: | InChI=1S/C28H26N8O4/c29-11-16-3-5-17(6-4-16)13-39-14-21-23(37)24(38)27(40-21)36-26-22(25(30)33-15-34-26)35-28(36)32-12-18-7-8-20-19(10-18)2-1-9-31-20/h1-10,15,21,23-24,27,37-38H,12-14H2,(H,32,35)(H2,30,33,34)/t21-,23-,24-,27-/m1/s1 | | Synonyms: | 5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine | | Definition date: | 2009-01-28 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine |
|
 | | 3GY | | Name: | (2R)-butan-2-ylbenzene | | Formula: | C10 H14 | | SMILES: | c1ccccc1C(CC)C | | InChi: | InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m1/s1 | | Synonyms: | sec-Butylbenzene | | Definition date: | 2014-08-18 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-01 | | Identifier: | (2R)-butan-2-ylbenzene |
|
 | | 3H4 | | Name: | (1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy
l-L-valyl)amino]octa-1,6-dien-4-yl carbamate | | Formula: | C31 H45 N3 O7 | | SMILES: | O=C(OC(CC=C/C)C/C=CNC(=O)C(NC(=O)C=C/C=CC(=CC(C)C1OC(=O)C(OC)=CC1)C)C(C)(C)C)N | | InChi: | InChI=1S/C31H45N3O7/c1-8-9-14-23(40-30(32)38)15-12-19-33-28(36)27(31(4,5)6)34-26(35)16-11-10-13-21(2)20-22(3)24-17-18-25(39-7)29(37)41-24/h8-13,16,18-20,22-24,27H,14-15,17H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35)/b9-8-,13-10-,16-11-,19-12-,21-20+/t22-,23-,24-,27+/m0/s1 | | Synonyms: | PM060184 | | Definition date: | 2014-08-19 | | Last modified: | 2020-06-17 | | Release date: | 2014-09-03 | | Identifier: | (1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methyl-L-valyl)amino]octa-1,6-dien-4-yl carbamate |
|
 | | 3HA | | Name: | 3-HYDROXYANTHRANILIC ACID | | Formula: | C7 H7 N O3 | | SMILES: | O=C(O)c1cccc(O)c1N | | InChi: | InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) | | Synonyms: | 2-AMINO-3-HYDROXYBENZOIC ACID | | Definition date: | 2004-08-16 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-3-hydroxybenzoic acid |
|
 | | RVI | | Name: | (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide | | Formula: | C29 H37 N3 O | | SMILES: | O=C(NCC1CCCCC1)C(CCC)Cc2cc3cc(ccc3nc2N)c4ccccc4C | | InChi: | InChI=1S/C29H37N3O/c1-3-9-23(29(33)31-19-21-11-5-4-6-12-21)17-25-18-24-16-22(14-15-27(24)32-28(25)30)26-13-8-7-10-20(26)2/h7-8,10,13-16,18,21,23H,3-6,9,11-12,17,19H2,1-2H3,(H2,30,32)(H,31,33)/t23-/m1/s1 | | Synonyms: | 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide | | Definition date: | 2011-05-10 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide |
|
 | | RX3 | | Name: | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT
OPHAN | | Formula: | C33 H36 N3 O7 P | | SMILES: | O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)C5CCCC5C(=O)NC(C(=O)O)Cc4c3ccccc3nc4 | | InChi: | InChI=1S/C33H36N3O7P/c37-31(35-28(32(38)39)19-24-20-34-27-16-8-7-14-25(24)27)26-15-9-17-29(26)44(41,42)30(18-22-10-3-1-4-11-22)36-33(40)43-21-23-12-5-2-6-13-23/h1-8,10-14,16,20,26,28-30,34H,9,15,17-19,21H2,(H,35,37)(H,36,40)(H,38,39)(H,41,42)/t26-,28+,29-,30-/m1/s1 | | Synonyms: | RXPA380 | | Definition date: | 2007-01-04 | | Last modified: | 2020-06-17 | | Identifier: | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-L-tryptophan |
|
 | | RX5 | | Name: | methyl
(2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]
methoxy}ethyl)carbamate | | Formula: | C26 H41 Cl N4 O5 | | SMILES: | Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NCC(NC)CC2CCCOC2)C3 | | InChi: | InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1 | | Synonyms: | VTP-27999 | | Definition date: | 2011-02-14 | | Last modified: | 2020-06-17 | | Identifier: | methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate |
|
 | | BIH | | Name: | NAPHTHALENE-2,6-DISULFONIC ACID | | Formula: | C10 H8 O6 S2 | | SMILES: | O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O | | InChi: | InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16) | | Synonyms: | 2,6-NAPHTHALENEDISULFONIC ACID | | Definition date: | 2004-08-11 | | Last modified: | 2020-06-17 | | Identifier: | naphthalene-2,6-disulfonic acid |
|
 | | BIK | | Name: | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | | Formula: | C11 H8 O4 | | SMILES: | O=C(O)c2cc1c(ccc(O)c1)cc2O | | InChi: | InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15) | | Synonyms: | 3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID | | Definition date: | 2004-08-11 | | Last modified: | 2020-06-17 | | Identifier: | 3,7-dihydroxynaphthalene-2-carboxylic acid |
|
 | | RXM | | Name: | (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1
5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2
5-yl acetate | | Formula: | C43 H51 N3 O11 | | SMILES: | N4C(=O)C(C)=CC=CC(C)C(C(C)C(C(C)C(C(C)C(C=COC1(C(=O)c2c(O1)c(c(c5c2c6nc3cc(C)ccn3c6c4c5O)O)C)C)OC)OC(C)=O)O)O | | InChi: | InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1 | | Synonyms: | Rifaximin | | Definition date: | 2017-10-26 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-18 | | Identifier: | (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate |
|
 | | BJE | | Name: | 2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil | | Formula: | C9 H10 N2 O5 | | SMILES: | OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O | | InChi: | InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7-,8-/m1/s1 | | Synonyms: | Anhydrouridine | | Definition date: | 2017-10-06 | | Last modified: | 2020-06-17 | | Identifier: | (2~{R},4~{R},5~{R},6~{R})-4-(hydroxymethyl)-5-oxidanyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0^{2,6}]dodeca-8,11-dien-10-one |
|
 | | BJM | | Name: | (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad
amantyl]ethanone | | Formula: | C18 H27 N3 O2 | | SMILES: | N[CH](C(=O)N1[CH](C[CH]2C[CH]12)C=N)C34C[CH]5C[CH](CC(O)(C5)C3)C4 | | InChi: | InChI=1S/C18H27N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h8,10-15,19,23H,1-7,9,20H2/t10-,11+,12-,13+,14+,15-,17+,18-/m1/s1 | | Synonyms: | Saxagliptin, bound form | | Definition date: | 2007-12-13 | | Last modified: | 2020-06-17 | | Identifier: | (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-adamantyl]ethanone |
|
 | | BJX | | Name: | Repaglinide | | Formula: | C27 H36 N2 O4 | | SMILES: | C(CC(c1ccccc1N2CCCCC2)NC(Cc3ccc(c(c3)OCC)C(=O)O)=O)(C)C | | InChi: | InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1 | | Synonyms: | 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid | | Definition date: | 2019-02-07 | | Last modified: | 2020-06-17 | | Release date: | 2019-05-22 | | Identifier: | 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid |
|
 | | BL4 | | Name: | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | | Formula: | C18 H16 N2 O2 | | SMILES: | O=C2c4c(cccc4N=C3N(c1ccccc1)CCC23O)C | | InChi: | InChI=1S/C18H16N2O2/c1-12-6-5-9-14-15(12)16(21)18(22)10-11-20(17(18)19-14)13-7-3-2-4-8-13/h2-9,22H,10-11H2,1H3/t18-/m1/s1 | | Synonyms: | S-3a-hydroxy-5-methyl-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one | | Definition date: | 2008-01-19 | | Last modified: | 2020-06-17 | | Identifier: | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
|
 | | S06 | | Name: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | | Formula: | C18 H21 N O6 | | SMILES: | O1C(C(O)C(O)C(O)C14ONC(c3cc2ccccc2cc3)C4)CO | | InChi: | InChI=1S/C18H21NO6/c20-9-14-15(21)16(22)17(23)18(24-14)8-13(19-25-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17,19-23H,8-9H2/t13-,14+,15+,16-,17+,18+/m0/s1 | | Synonyms: | (1R)-3'-(2-naphthyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | | Definition date: | 2007-09-04 | | Last modified: | 2020-06-17 | | Identifier: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-naphthalen-2-yl-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol |
|
 | | BLQ | | Name: | (3E)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid | | Formula: | C17 H15 N3 O6 | | SMILES: | O=C2C=CC(=N/Nc1ccc(C(=O)NCCC(=O)O)cc1)C=C2C(=O)O | | InChi: | InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,19H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-12+ | | Synonyms: | balsalazide | | Definition date: | 2010-02-25 | | Last modified: | 2020-06-17 | | Identifier: | (3E)-3-(2-{4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazinylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid |
|
 | | BLT | | Name: | 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT | | Formula: | C9 H18 O9 S Se | | SMILES: | [O-]S([O-])([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1 | | InChi: | InChI=1S/C9H20O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6+,7+,8+,9-,20+/m0/s1 | | Synonyms: | DIASTEREOMER OF SELENO-SALACINOL | | Definition date: | 2004-06-22 | | Last modified: | 2020-06-17 | | Identifier: | ({[(1R,2R)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydroselenophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name) |
|
 | | BM0 | | Name: | 1-butyl-3-methyl-1H-imidazol-3-ium | | Formula: | C8 H15 N2 | | SMILES: | C(C)CCn1cc[n+](c1)C | | InChi: | InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1 | | Synonyms: | 1-butyl-3-methylimidazolium | | Definition date: | 2015-07-24 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-04 | | Identifier: | 1-butyl-3-methyl-1H-imidazol-3-ium |
|
 | | BM2 | | Name: | S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL]
METHYL]BUTANAMIDE | | Formula: | C23 H32 N6 O5 S | | SMILES: | O=C(N1C(CNC(=O)CCCNC(=[N@H])N)CCC1)C(NS(=O)(=O)c3cc2ccccc2cc3)CO | | InChi: | InChI=1S/C23H32N6O5S/c24-23(25)26-11-3-8-21(31)27-14-18-7-4-12-29(18)22(32)20(15-30)28-35(33,34)19-10-9-16-5-1-2-6-17(16)13-19/h1-2,5-6,9-10,13,18,20,28,30H,3-4,7-8,11-12,14-15H2,(H,27,31)(H4,24,25,26)/t18-,20-/m0/s1 | | Synonyms: | BMS-186282 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-carbamimidamido-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)butanamide |
|
 | | BM9 | | Name: | [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXA
MIDE | | Formula: | C25 H34 N6 O5 S | | SMILES: | O=C(N2C(CNC(=O)C1CCCN(C(=[N@H])N)C1)CCC2)C(NS(=O)(=O)c4cc3ccccc3cc4)CO | | InChi: | InChI=1S/C25H34N6O5S/c26-25(27)30-11-3-7-19(15-30)23(33)28-14-20-8-4-12-31(20)24(34)22(16-32)29-37(35,36)21-10-9-17-5-1-2-6-18(17)13-21/h1-2,5-6,9-10,13,19-20,22,29,32H,3-4,7-8,11-12,14-16H2,(H3,26,27)(H,28,33)/t19-,20-,22-/m0/s1 | | Synonyms: | BMS-189090 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-1-carbamimidoyl-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)piperidine-3-carboxamide |
|
 | | BMG | | Name: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth
yl-4,5-dihydro-1H-pyrrole-2-carboxylate | | Formula: | C15 H20 N4 O4 S | | SMILES: | O=CC(C(O)C)C3NC(C([O-])=O)=C(SC2C[n+]1cncn1C2)C3C | | InChi: | InChI=1S/C15H20N4O4S/c1-8-12(11(5-20)9(2)21)17-13(15(22)23)14(8)24-10-3-18-6-16-7-19(18)4-10/h5-12,17,21H,3-4H2,1-2H3/t8-,9-,11-,12-/m1/s1 | | Synonyms: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-
methyl-4,5-dihydro-1H-pyrrole-2-carboxylate | | Definition date: | 2007-11-05 | | Last modified: | 2020-06-17 | | Identifier: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate |
|
