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H7N
H7N
Name:butoxy(hexyl)phosphinic acid
Formula:C10 H23 O3 P
SMILES:CCCCCC[P](O)(=O)OCCCC
InChi:InChI=1S/C10H23O3P/c1-3-5-7-8-10-14(11,12)13-9-6-4-2/h3-10H2,1-2H3,(H,11,12)
Definition date:2018-11-20
Last modified:2024-09-27
Release date:2019-11-27
Identifier:butoxy(hexyl)phosphinic acid
H7V
H7V
Name:3-cyclohexyl-N-methyl-L-alanine
Formula:C10 H19 N O2
SMILES:N(C(C(O)=O)CC1CCCCC1)C
InChi:InChI=1S/C10H19NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1
Definition date:2018-06-13
Last modified:2024-09-27
Release date:2018-10-17
Identifier:3-cyclohexyl-N-methyl-L-alanine
339
339
Name:(S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE
Formula:C29 H45 Br N10 O5 S
SMILES:O=C(c1nccs1)C(NC(=O)C(NC(=O)C(NC(=O)NC(c2ccc(Br)cc2)C)CCCNC(=O)N)C(C)C)CCCNC(N)N
InChi:InChI=1S/C29H45BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22,27,35H,4-7,12-13,31-32H2,1-3H3,(H,38,43)(H,40,42)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1
Definition date:2005-05-25
Last modified:2024-09-27
Identifier:2-[N~2~-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-N~5~-carbamoyl-L-ornithyl-L-valyl-N~5~-(diaminomethyl)-L-ornithyl]-1,3-thiazole
H88
H88
Name:~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
Formula:C29 H26 N4 O5 S
SMILES:Cc1ccc(cc1NC(=O)CCO)N2C(=O)C=Cc3cnc4cc(ccc4c23)c5ccc(N[S](C)(=O)=O)cc5
InChi:InChI=1S/C29H26N4O5S/c1-18-3-10-23(16-25(18)31-27(35)13-14-34)33-28(36)12-7-21-17-30-26-15-20(6-11-24(26)29(21)33)19-4-8-22(9-5-19)32-39(2,37)38/h3-12,15-17,32,34H,13-14H2,1-2H3,(H,31,35)
Definition date:2018-11-23
Last modified:2024-09-27
Release date:2020-05-27
Identifier:~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
33L
33L
Name:N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
Formula:C18 H21 N3 O2
SMILES:O=C(NCCN)C(NC(=O)c1ccccc1)Cc2ccccc2
InChi:InChI=1S/C18H21N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,23)(H,21,22)/t16-/m0/s1
Synonyms:Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form
Definition date:2014-06-10
Last modified:2024-09-27
Release date:2015-08-05
Identifier:N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
33S
33S
Name:3-iodo-L-phenylalanine
Formula:C9 H10 I N O2
SMILES:Ic1cc(ccc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:2014-06-13
Last modified:2024-09-27
Release date:2014-11-12
Identifier:3-iodo-L-phenylalanine
H8L
H8L
Name:O3-methyl O5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate
Formula:C20 H24 N2 O5
SMILES:COC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1c2ccccc2NO
InChi:InChI=1S/C20H24N2O5/c1-11(2)10-27-20(24)17-13(4)21-12(3)16(19(23)26-5)18(17)14-8-6-7-9-15(14)22-25/h6-9,11,22,25H,10H2,1-5H3
Definition date:2020-11-26
Last modified:2024-09-27
Release date:2021-05-19
Identifier:~{O}3-methyl ~{O}5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate
33X
33X
Name:N-methyl-D-alanine
Formula:C4 H9 N O2
SMILES:O=C(O)C(NC)C
InChi:InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1
Definition date:2014-06-16
Last modified:2024-09-27
Release date:2014-11-12
Identifier:N-methyl-D-alanine
H8S
H8S
Name:N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Formula:C28 H42 N4 O3 S
SMILES:C(c1ccc3c(c1)sc(CC(NC(=O)CC)C(NC(C2CCCCC2)CNC(=O)C(C)C)=O)n3)(C)C
InChi:InChI=1S/C28H42N4O3S/c1-6-25(33)30-22(15-26-31-21-13-12-20(17(2)3)14-24(21)36-26)28(35)32-23(16-29-27(34)18(4)5)19-10-8-7-9-11-19/h12-14,17-19,22-23H,6-11,15-16H2,1-5H3,(H,29,34)(H,30,33)(H,32,35)/t22-,23+/m0/s1
Definition date:2018-06-15
Last modified:2024-09-27
Release date:2021-06-02
Identifier:N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
H8V
H8V
Name:(2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide
Formula:C33 H51 N5 O4 S
SMILES:CC(c3ccc4nc(CC(NC(=O)CC)C(NC(C1CCCCC1)CNC(=O)C(CCN2CCOCC2)C)=O)sc4c3)C
InChi:InChI=1S/C33H51N5O4S/c1-5-30(39)35-27(20-31-36-26-12-11-25(22(2)3)19-29(26)43-31)33(41)37-28(24-9-7-6-8-10-24)21-34-32(40)23(4)13-14-38-15-17-42-18-16-38/h11-12,19,22-24,27-28H,5-10,13-18,20-21H2,1-4H3,(H,34,40)(H,35,39)(H,37,41)/t23-,27+,28-/m1/s1
Definition date:2018-06-15
Last modified:2024-09-27
Release date:2021-06-02
Identifier:(2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide
H8Z
H8Z
Name:1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
Formula:C15 H16 N6 O
SMILES:Nc1ncnc2n(nc(C#C)c12)[CH]3CCCN(C3)C(=O)C=C
InChi:InChI=1S/C15H16N6O/c1-3-11-13-14(16)17-9-18-15(13)21(19-11)10-6-5-7-20(8-10)12(22)4-2/h1,4,9-10H,2,5-8H2,(H2,16,17,18)/t10-/m1/s1
Definition date:2018-11-28
Last modified:2024-09-27
Release date:2019-02-27
Identifier:1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
34E
34E
Name:(3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine
Formula:C13 H27 N3 O3
SMILES:O=C(O)C(NC)C(C)CN1CCN(CCOC)CC1
InChi:InChI=1S/C13H27N3O3/c1-11(12(14-2)13(17)18)10-16-6-4-15(5-7-16)8-9-19-3/h11-12,14H,4-10H2,1-3H3,(H,17,18)/t11-,12+/m1/s1
Definition date:2014-06-16
Last modified:2024-09-27
Release date:2014-11-12
Identifier:(3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine
34H
34H
Name:(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID
Formula:C9 H10 O4
SMILES:O=C(O)C(O)Cc1ccc(O)cc1
InChi:InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1
Definition date:2010-07-21
Last modified:2024-09-27
Identifier:(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
H9A
H9A
Name:propan-2-yl hydrogen (R)-ethylphosphonate
Formula:C5 H13 O3 P
SMILES:P(OC(C)C)(O)(=O)CC
InChi:InChI=1S/C5H13O3P/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3,(H,6,7)
Definition date:2018-06-18
Last modified:2024-09-27
Release date:2018-10-03
Identifier:propan-2-yl hydrogen (R)-ethylphosphonate
H9B
H9B
Name:(2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide
Formula:C21 H24 F3 N3 O
SMILES:CC[CH](N)C(=O)N[C]1(CN)C[CH]1c2ccc(cc2)c3ccc(cc3)C(F)(F)F
InChi:InChI=1S/C21H24F3N3O/c1-2-18(26)19(28)27-20(12-25)11-17(20)15-5-3-13(4-6-15)14-7-9-16(10-8-14)21(22,23)24/h3-10,17-18H,2,11-12,25-26H2,1H3,(H,27,28)/t17-,18+,20+/m1/s1
Definition date:2018-12-03
Last modified:2024-09-27
Release date:2019-04-24
Identifier:(2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide
H9J
H9J
Name:2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
Formula:C9 H14 F3 N O6
SMILES:C1(C(C(C(C(C1NC(C(F)(F)F)=O)O)O)CO)O)O
InChi:InChI=1S/C9H14F3NO6/c10-9(11,12)8(19)13-3-6(17)4(15)2(1-14)5(16)7(3)18/h2-7,14-18H,1H2,(H,13,19)/t2-,3-,4-,5-,6-,7-/m1/s1
Definition date:2018-06-18
Last modified:2024-09-27
Release date:2019-04-24
Identifier:2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
H9M
H9M
Name:(2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide
Formula:C31 H49 N5 O3 S
SMILES:s1c(nc2c1cc(cc2)C(C)C)CC(C(=O)NC(C3CCCCC3)CNC(=O)C(CCN(C)C)C)NC(=O)CC
InChi:InChI=1S/C31H49N5O3S/c1-7-28(37)33-25(18-29-34-24-14-13-23(20(2)3)17-27(24)40-29)31(39)35-26(22-11-9-8-10-12-22)19-32-30(38)21(4)15-16-36(5)6/h13-14,17,20-22,25-26H,7-12,15-16,18-19H2,1-6H3,(H,32,38)(H,33,37)(H,35,39)/t21-,25-,26+/m0/s1
Definition date:2018-06-18
Last modified:2024-09-27
Release date:2021-06-02
Identifier:(2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide
H9P
H9P
Name:N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Formula:C31 H44 N6 O3 S
SMILES:O=C(C(NC(CC)=O)Cc1nc2c(s1)cc(cc2)C(C)C)NC(C3CCCCC3)CNC(C(C)Cn4cncc4)=O
InChi:InChI=1S/C31H44N6O3S/c1-5-28(38)34-25(16-29-35-24-12-11-23(20(2)3)15-27(24)41-29)31(40)36-26(22-9-7-6-8-10-22)17-33-30(39)21(4)18-37-14-13-32-19-37/h11-15,19-22,25-26H,5-10,16-18H2,1-4H3,(H,33,39)(H,34,38)(H,36,40)/t21-,25-,26+/m0/s1
Definition date:2018-06-18
Last modified:2024-09-27
Release date:2021-06-02
Identifier:N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
H9T
H9T
Name:(1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
Formula:C7 H13 N O4
SMILES:OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12
InChi:InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3-,4-,5-,6-,7-/m0/s1
Definition date:2018-12-03
Last modified:2024-09-27
Release date:2019-10-09
Identifier:(1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
HAE
HAE
Name:ACETOHYDROXAMIC ACID
Formula:C2 H5 N O2
SMILES:O=C(NO)C
InChi:InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N-hydroxyacetamide
35J
35J
Name:N-(pyridin-3-ylmethyl)thioformamide
Formula:C7 H8 N2 S
SMILES:S=CNCc1cccnc1
InChi:InChI=1S/C7H8N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4,6H,5H2,(H,9,10)
Definition date:2014-06-19
Last modified:2024-09-27
Release date:2015-09-30
Identifier:N-(pyridin-3-ylmethyl)thioformamide
35P
35P
Name:(2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
Formula:C16 H20 N2 O5 S
SMILES:c1c(cccc1)OCC(=O)NC(C2NC(C(S2)(C)C)C(O)=O)C=O
InChi:InChI=1S/C16H20N2O5S/c1-16(2)13(15(21)22)18-14(24-16)11(8-19)17-12(20)9-23-10-6-4-3-5-7-10/h3-8,11,13-14,18H,9H2,1-2H3,(H,17,20)(H,21,22)/t11-,13+,14-/m1/s1
Synonyms:OPEN FORM - PENICILLIN V
Definition date:2014-06-19
Last modified:2024-09-27
Release date:2014-07-08
Identifier:(2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
HAO
HAO
Name:{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid
Formula:C10 H11 N3 O5
SMILES:O=C(O)C(=O)Nc1ccc(OC)c(C(=O)NN)c1
InChi:InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)
Definition date:2010-07-01
Last modified:2024-09-27
Identifier:{[3-(hydrazinylcarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid
35V
35V
Name:4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
Formula:C19 H25 N O5 S
SMILES:O(c1ccc(cc1OC)CCNCC(O)c2ccc(O)c(O)c2)CCS
InChi:InChI=1S/C19H25NO5S/c1-24-19-10-13(2-5-18(19)25-8-9-26)6-7-20-12-17(23)14-3-4-15(21)16(22)11-14/h2-5,10-11,17,20-23,26H,6-9,12H2,1H3/t17-/m0/s1
Definition date:2014-06-23
Last modified:2024-09-27
Release date:2014-07-23
Identifier:4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
HAQ
HAQ
Name:5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID
Formula:C13 H14 N2 O3
SMILES:O=C(O)C2N3c1c(cccc1C2)CCC(N)C3=O
InChi:InChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1
Definition date:1999-10-14
Last modified:2024-09-27
Identifier:(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid

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