 | | GKJ | | Name: | pentyl
[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,
16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-
yl]carbamate | | Formula: | C38 H52 N6 O9 S | | SMILES: | c2(c(C)nc1c(cc(cc1)OC)n2)OC4CC5C(NC6(C(NS(C3(CC3)C)(=O)=O)=O)C(C=CCCCCCC(C(N5C4)=O)NC(=O)OCCCCC)C6)=O | | InChi: | InChI=1S/C38H52N6O9S/c1-5-6-12-19-52-36(48)41-29-14-11-9-7-8-10-13-25-22-38(25,35(47)43-54(49,50)37(3)17-18-37)42-32(45)31-21-27(23-44(31)34(29)46)53-33-24(2)39-28-16-15-26(51-4)20-30(28)40-33/h10,13,15-16,20,25,27,29,31H,5-9,11-12,14,17-19,21-23H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b13-10-/t25-,27-,29+,31+,38-/m1/s1 | | Synonyms: | P4-2 (JZ01-19) | | Definition date: | 2018-05-24 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-31 | | Identifier: | pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
|
 | | 8RC | | Name: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin
e-2-carboxamide | | Formula: | C30 H42 N8 O3 | | SMILES: | CCc1nc(C(N)=O)c(Nc2ccc(cc2)N3CCC(CC3)N4CCN(C)CC4)nc1O[CH]5CCN(C5)C(=O)C=C | | InChi: | InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1 | | Synonyms: | Naquotinib | | Definition date: | 2017-08-31 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-11 | | Identifier: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3~{R})-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazine-2-carboxamide |
|
 | | GZZ | | Name: | N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE | | Formula: | C18 H41 N7 | | SMILES: | [N@H]=C(N)NCCCCCCCCNCCCCCCCCNC(=[N@H])N | | InChi: | InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25) | | Synonyms: | GUAZATINE | | Definition date: | 2001-01-25 | | Last modified: | 2020-06-17 | | Identifier: | N,N'''-(iminodioctane-8,1-diyl)diguanidine |
|
 | | AGE | | Name: | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide | | Formula: | C16 H16 N2 O3 | | SMILES: | O=C(c1cc(C=CC(=O)NO)n(c1)C)Cc2ccccc2 | | InChi: | InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)/b8-7+ | | Synonyms: | APHA Compound 8 | | Definition date: | 2008-11-03 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide |
|
 | | AHI | | Name: | 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}PROPAN-1-AMINIUM | | Formula: | C4 H13 N4 O | | SMILES: | N(/O)=C(/N)NCCC[NH3+] | | InChi: | InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1 | | Synonyms: | DESCARBOXY-NOR-N(OMEGA)-HYDROXY-L-ARGININE | | Definition date: | 2004-05-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-(N''-hydroxycarbamimidamido)propan-1-aminium |
|
 | | AL1 | | Name: | 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE | | Formula: | C13 H14 N2 O5 S3 | | SMILES: | O=S(=O)(c1sc3c(c1)CCN(c2cccc(OC)c2)S3(=O)=O)N | | InChi: | InChI=1S/C13H14N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-4,7-8H,5-6H2,1H3,(H2,14,16,17) | | Synonyms: | AL7182 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-(3-methoxyphenyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
|
 | | AL7 | | Name: | (S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE | | Formula: | C14 H17 N3 O5 S3 | | SMILES: | O=S(=O)(c1sc3c(c1)C(NC)CN(c2cccc(OC)c2)S3(=O)=O)N | | InChi: | InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m1/s1 | | Synonyms: | AL7099A | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (4S)-2-(3-methoxyphenyl)-4-(methylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
|
 | | AL8 | | Name: | (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE | | Formula: | C14 H17 N3 O5 S3 | | SMILES: | O=S(=O)(c1sc3c(c1)C(NC)CN(c2cccc(OC)c2)S3(=O)=O)N | | InChi: | InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m0/s1 | | Synonyms: | AL7089A | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-2-(3-methoxyphenyl)-4-(methylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
|
 | | AP8 | | Name: | (8R,9R,10R,11R,14S,18S,20S,24S)-24-{(1R,2S,3R,6R,7R,8R,9S,10E)-8-(ACETYLOXY)-6-[(N,N-DIMETHYLALANYL)OXY]-11-[FORMYL(MET
HYL)AMINO]-2-HYDROXY-1,3,7,9-TETRAMETHYLUNDEC-10-ENYL}-10-HYDROXY-14,20-DIMETHOXY-9,11,15,18-TETRAMETHYL-2-OXOOXACYCLOTE
TRACOSA-3,5,15,21-TETRAEN-8-YL N,N,O-TRIMETHYLSERINATE | | Formula: | C59 H101 N3 O14 | | SMILES: | O=CN(C=CC(C)C(OC(=O)C)C(C)C(OC(=O)C(N(C)C)C)CCC(C)C(O)C(C)C1OC(=O)C=CC=CCC(OC(=O)C(N(C)C)COC)C(C)C(O)C(C)CCC(OC)C(=CCC(CC(OC)C=CC1)C)C)C | | InChi: | InChI=1S/C59H101N3O14/c1-38-27-28-39(2)50(72-18)31-29-40(3)56(67)44(7)52(76-59(69)49(36-70-16)61(13)14)24-20-19-21-26-54(65)74-51(25-22-23-48(35-38)71-17)43(6)55(66)41(4)30-32-53(75-58(68)46(9)60(11)12)45(8)57(73-47(10)64)42(5)33-34-62(15)37-63/h19-23,26,28,33-34,37-38,40-46,48-53,55-57,66-67H,24-25,27,29-32,35-36H2,1-18H3/b20-19+,23-22+,26-21+,34-33+,39-28+/t38-,40-,41+,42-,43-,44-,45+,46+,48+,49+,50+,51+,52-,53-,55+,56-,57-/m1/s1 | | Synonyms: | APLYRONINE A | | Definition date: | 2004-12-17 | | Last modified: | 2020-06-17 | | Identifier: | (3E,5E,8R,9S,10R,11R,14S,15E,18R,20R,21E,24S)-24-{(1S,2S,3S,6R,7S,8R,9R,10E)-8-(acetyloxy)-6-[(N,N-dimethyl-L-alanyl)oxy]-11-[formyl(methyl)amino]-2-hydroxy-1,3,7,9-tetramethylundec-10-en-1-yl}-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxooxacyclotetracosa-3,5,15,21-tetraen-8-yl N,N,O-trimethyl-L-serinate |
|
 | | HI6 | | Name: | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM | | Formula: | C14 H16 N4 O3 | | SMILES: | O=C(N)c1cc[n+](cc1)COC[n+]2ccccc2C=NO | | InChi: | InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2 | | Synonyms: | 1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER | | Definition date: | 2006-05-15 | | Last modified: | 2020-06-17 | | Identifier: | 4-carbamoyl-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium |
|
 | | 2HC | | Name: | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | | Formula: | C9 H8 O3 | | SMILES: | O=C(O)/C=C/c1ccccc1O | | InChi: | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ | | Synonyms: | TRANS-2-HYDROXYCINNAMIC ACID | | Definition date: | 2003-12-22 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
|
 | | 2K2 | | Name: | PKC412 | | Formula: | C35 H30 N4 O4 | | SMILES: | O=C(c1ccccc1)N(C9C(OC)C8(OC(n6c5c3n8c2ccccc2c3c4c(C(=O)NC4)c5c7ccccc67)C9)C)C | | InChi: | InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | | Synonyms: | N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonon
a[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide | | Definition date: | 2013-11-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-01 | | Identifier: | N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide |
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 | | 2KZ | | Name: | 2-amino maleic acid | | Formula: | C4 H5 N O4 | | SMILES: | O=C(O)C=C(N)C(=O)O | | InChi: | InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1+ | | Synonyms: | (2E)-2-aminobut-2-enedioic acid | | Definition date: | 2014-04-11 | | Last modified: | 2020-06-17 | | Release date: | 2015-03-11 | | Identifier: | (2E)-2-aminobut-2-enedioic acid |
|
 | | 2PD | | Name: | 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one | | Formula: | C23 H24 N4 O5 S | | SMILES: | O=C4N(N=C(c1ccccc1)C(O)=C4C3=Nc2c(cc(OC)cc2)S(=O)(=O)N3)CCC(C)C | | InChi: | InChI=1S/C23H24N4O5S/c1-14(2)11-12-27-23(29)19(21(28)20(25-27)15-7-5-4-6-8-15)22-24-17-10-9-16(32-3)13-18(17)33(30,31)26-22/h4-10,13-14,28H,11-12H2,1-3H3,(H,24,26) | | Synonyms: | 5-hydroxy-4-(7-methoxy-1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one | | Definition date: | 2008-01-11 | | Last modified: | 2020-06-17 | | Identifier: | 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one |
|
 | | HU2 | | Name: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI
C ACID | | Formula: | C34 H52 N4 O7 | | SMILES: | O=C(NC(C(=O)NC(C(=O)C(=O)NCC(=O)NC(C(=O)O)c1ccccc1)CCC)CC(C)C)C(C/C=C/CC(C)C)C(C)C | | InChi: | InChI=1S/C34H52N4O7/c1-8-14-26(30(40)33(43)35-20-28(39)38-29(34(44)45)24-16-10-9-11-17-24)36-32(42)27(19-22(4)5)37-31(41)25(23(6)7)18-13-12-15-21(2)3/h9-13,16-17,21-23,25-27,29H,8,14-15,18-20H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)(H,38,39)(H,44,45)/b13-12+/t25-,26-,27-,29-/m0/s1 | | Synonyms: | Ketoamide Inhibitor CVS4819, bound form | | Definition date: | 2007-01-09 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-7-methyl-2-(propan-2-yl)oct-4-enoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acid |
|
 | | FSV | | Name: | 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol | | Formula: | C14 H11 F O3 | | SMILES: | Fc2cc(C=Cc1cc(O)cc(O)c1)ccc2O | | InChi: | InChI=1S/C14H11FO3/c15-13-7-9(3-4-14(13)18)1-2-10-5-11(16)8-12(17)6-10/h1-8,16-18H/b2-1+ | | Synonyms: | fluoro-resveratrol | | Definition date: | 2014-02-28 | | Last modified: | 2020-06-17 | | Release date: | 2014-05-07 | | Identifier: | 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
|
 | | EUG | | Name: | 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol | | Formula: | C10 H12 O2 | | SMILES: | Oc1ccc(cc1OC)/C=C/C | | InChi: | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ | | Synonyms: | Isoeugenol | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol |
|
 | | F0G | | Name: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine | | Formula: | C11 H15 N2 O7 P | | SMILES: | n1c(c(O)c(C=NC(C(O)=O)C)c(COP(O)(O)=O)c1)C | | InChi: | InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1 | | Synonyms: | PLP-Ala | | Definition date: | 2018-02-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-21 | | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine |
|
 | | F2M | | Name: | (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine | | Formula: | C9 H13 N O | | SMILES: | CC=CN(C)Cc1occc1 | | InChi: | InChI=1S/C9H13NO/c1-3-6-10(2)8-9-5-4-7-11-9/h3-7H,8H2,1-2H3/b6-3+ | | Synonyms: | F2MPA | | Definition date: | 2017-01-03 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-11 | | Identifier: | (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine |
|
 | | IDN | | Name: | (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE | | Formula: | C22 H22 N4 O2 | | SMILES: | O=C2Nc1ncc(cc1CC2)C=CC(=O)N(C)Cc4c3ccccc3n(c4)C | | InChi: | InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+ | | Synonyms: | INDOLE NAPHTHYRIDINONE | | Definition date: | 2002-08-28 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide |
|
 | | 4MC | | Name: | (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID
E | | Formula: | C29 H41 N7 O4 S | | SMILES: | O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ccccc2)CCc3ccccc3)CCCNC(=[N@H])N | | InChi: | InChI=1S/C29H41N7O4S/c1-35-18-20-36(21-19-35)29(38)34-26(13-8-17-32-28(30)31)27(37)33-24(15-14-23-9-4-2-5-10-23)16-22-41(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,33,37)(H,34,38)(H4,30,31,32)/b22-16+/t24-,26-/m0/s1 | | Synonyms: | 4-METHYL-PIPERAZINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PHENETHYLALLYLCARBAMOYL)-4-GUANIDINO-BUTYL]-AMIDE | | Definition date: | 2007-03-21 | | Last modified: | 2020-06-17 | | Identifier: | N~2~-[(4-methylpiperazin-1-yl)carbonyl]-N-[(1S,2E)-1-(2-phenylethyl)-3-(phenylsulfonyl)prop-2-en-1-yl]-L-argininamide |
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 | | 4O6 | | Name: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide | | Formula: | C19 H24 Cl N3 O5 S | | SMILES: | O=C(N1CCOCC1)C(N3C(=O)C(NS(=O)(=O)C=Cc2ccc(Cl)cc2)CC3)C | | InChi: | InChI=1S/C19H24ClN3O5S/c1-14(18(24)22-9-11-28-12-10-22)23-8-6-17(19(23)25)21-29(26,27)13-7-15-2-4-16(20)5-3-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3/b13-7+/t14-,17-/m0/s1 | | Synonyms: | GTC000406 | | Definition date: | 2015-02-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide |
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 | | 4O7 | | Name: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1
5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol | | Formula: | C28 H30 N4 O3 | | SMILES: | O1C2n6c4c3n(C1(C(C(C2)NC)OC)C)c8c(c3C7C(c4c5ccccc56)C(NC7)O)cccc8 | | InChi: | InChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,16-17,20,23,26-27,29-30,33H,12-13H2,1-3H3/t16-,17-,20-,23-,26-,27-,28+/m1/s1 | | Synonyms: | staurosporine | | Definition date: | 2015-04-27 | | Last modified: | 2020-06-17 | | Release date: | 2016-03-09 | | Identifier: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol |
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 | | IGC | | Name: | N-[(1S,2R,3E)-1-({[ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]OXY}METHYL)-2-H
YDROXYHEPTADEC-3-EN-1-YL]OCTANAMIDE | | Formula: | C44 H81 N O18 | | SMILES: | O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC | | InChi: | InChI=1S/C44H81NO18/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-28(49)27(45-32(50)22-20-17-8-6-4-2)26-58-42-38(56)36(54)40(31(25-48)61-42)62-44-39(57)41(34(52)30(24-47)60-44)63-43-37(55)35(53)33(51)29(23-46)59-43/h19,21,27-31,33-44,46-49,51-57H,3-18,20,22-26H2,1-2H3,(H,45,50)/b21-19+/t27-,28+,29?,30+,31+,33?,34-,35?,36+,37?,38+,39+,40+,41-,42+,43?,44-/m0/s1 | | Synonyms: | ISOGLOBOTRIHEXOSYLCERAMIDE | | Definition date: | 2007-06-22 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1S,2R,3E)-1-({[hexopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}methyl)-2-hydroxyheptadec-3-en-1-yl]octanamide |
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 | | IM2 | | Name: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox
ylic acid | | Formula: | C12 H19 N3 O4 S | | SMILES: | O=C(O)C1=C(SCCNC=[N@H])CC(N1)C(C=O)C(O)C | | InChi: | InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-9,15,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-/m1/s1 | | Synonyms: | IMIPENEM, open form | | Definition date: | 1999-07-13 | | Last modified: | 2020-06-17 | | Identifier: | (5R)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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