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Z3E
Z3E
Name:O-benzyl-L-threonine
Formula:C11 H15 N O3
SMILES:O=C(O)C(N)C(OCc1ccccc1)C
InChi:InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1
Definition date:2010-10-27
Last modified:2023-11-03
Identifier:O-benzyl-L-threonine
VR0
VR0
Name:N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine
Formula:C8 H17 N5 O3
SMILES:O=C(O)C(N)CCCNC(=[N@H])NC(=O)NC
InChi:InChI=1S/C8H17N5O3/c1-11-8(16)13-7(10)12-4-2-3-5(9)6(14)15/h5H,2-4,9H2,1H3,(H,14,15)(H4,10,11,12,13,16)/t5-/m0/s1
Definition date:2010-11-01
Last modified:2023-11-03
Identifier:N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine
KAC
KAC
Name:4-(benzoylamino)butanoic acid
Formula:C11 H13 N O3
SMILES:O=C(NCCCC(=O)O)c1ccccc1
InChi:InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14)
Definition date:2014-10-07
Last modified:2023-11-03
Release date:2014-12-03
Identifier:4-(benzoylamino)butanoic acid
TOX
TOX
Name:1-hydroperoxy-L-tryptophan
Formula:C11 H12 N2 O4
SMILES:O=C(O)C(N)Cc2c1ccccc1n(OO)c2
InChi:InChI=1S/C11H12N2O4/c12-9(11(14)15)5-7-6-13(17-16)10-4-2-1-3-8(7)10/h1-4,6,9,16H,5,12H2,(H,14,15)/t9-/m0/s1
Definition date:2006-08-21
Last modified:2023-11-03
Identifier:1-hydroperoxy-L-tryptophan
WPA
WPA
Name:(betaR)-beta-methoxy-L-phenylalanine
Formula:C10 H13 N O3
SMILES:O=C(O)C(N)C(OC)c1ccccc1
InChi:InChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1
Definition date:2013-06-18
Last modified:2023-11-03
Release date:2013-09-18
Identifier:(betaR)-beta-methoxy-L-phenylalanine
P7R
P7R
Name:(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C17 H15 Cl N4 O3
SMILES:CN1c2c(NC1=O)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C17H15ClN4O3/c1-22-15-12(7-19-8-13(15)21-17(22)24)20-16(23)10-4-5-25-14-3-2-9(18)6-11(10)14/h2-3,6-8,10H,4-5H2,1H3,(H,20,23)(H,21,24)/t10-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
TOZ
TOZ
Name:2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
Formula:C8 H7 N3 O3 S
SMILES:NCc1scc(n1)c2occ(n2)C(O)=O
InChi:InChI=1S/C8H7N3O3S/c9-1-6-10-5(3-15-6)7-11-4(2-14-7)8(12)13/h2-3H,1,9H2,(H,12,13)
Definition date:2018-06-04
Last modified:2023-11-03
Release date:2019-01-30
Identifier:2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
VR5
VR5
Name:(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
Formula:C32 H29 F6 N7 O S
SMILES:FC(F)(F)c1cc2c(nc(OCC34CCCN4CC(F)C3)nc2c(F)c1c1ccc(F)c2sc(N)c(C#N)c12)N1CC2CCC(N2)C1
InChi:InChI=1S/C32H29F6N7OS/c33-15-9-31(6-1-7-45(31)11-15)14-46-30-42-26-19(29(43-30)44-12-16-2-3-17(13-44)41-16)8-21(32(36,37)38)24(25(26)35)18-4-5-22(34)27-23(18)20(10-39)28(40)47-27/h4-5,8,15-17,41H,1-3,6-7,9,11-14,40H2/t15-,16-,17+,31+/m1/s1
Definition date:2023-09-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
VR9
VR9
Name:N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
Formula:C21 H20 Cl N3 O3
SMILES:CCC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)9-10-27-20-12-16(22)6-7-19(20)28-18-5-4-8-25-14-15(13-23)11-17(18)25/h4-8,11-12,14H,3,9-10H2,1-2H3
Definition date:2023-09-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
Q1C
Q1C
Name:2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C14 H21 N3 O
SMILES:O=C(CN1CCC(C)CC1)Nc1cnccc1C
InChi:InChI=1S/C14H21N3O/c1-11-4-7-17(8-5-11)10-14(18)16-13-9-15-6-3-12(13)2/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,16,18)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
NJU
NJU
Name:2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide
Formula:C17 H17 Cl N2 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2CCCCc21
InChi:InChI=1S/C17H17ClN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h3-4,6,8,10-11H,1-2,5,7,9H2,(H,20,21)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide
S1L
S1L
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[3-(morpholin-4-yl)anilino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C31 H30 Cl N5 O3
SMILES:Clc1ccc2CN(CC(C(=O)Nc3cncc4ccccc43)c2c1)CC(=O)Nc1cc(ccc1)N1CCOCC1
InChi:InChI=1S/C31H30ClN5O3/c32-23-9-8-22-18-36(20-30(38)34-24-5-3-6-25(15-24)37-10-12-40-13-11-37)19-28(27(22)14-23)31(39)35-29-17-33-16-21-4-1-2-7-26(21)29/h1-9,14-17,28H,10-13,18-20H2,(H,34,38)(H,35,39)/t28-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[3-(morpholin-4-yl)anilino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
06E
06E
Name:6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
Formula:C16 H17 Br N4 O3 S
SMILES:OC(=O)CCCCCNCC1=Nc2c(sc3cc(Br)cnc23)C(=O)N1
InChi:InChI=1S/C16H17BrN4O3S/c17-9-6-10-13(19-7-9)14-15(25-10)16(24)21-11(20-14)8-18-5-3-1-2-4-12(22)23/h6-7,18H,1-5,8H2,(H,22,23)(H,20,21,24)
Definition date:2021-05-28
Last modified:2023-11-03
Release date:2021-08-04
Identifier:6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
VRF
VRF
Name:N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
Formula:C23 H20 N2 O3
SMILES:C=CC(=O)N(C)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21
InChi:InChI=1S/C23H20N2O3/c1-3-23(26)25(2)13-14-27-21-8-4-5-9-22(21)28-20-10-6-7-18-15-17(16-24)11-12-19(18)20/h3-12,15H,1,13-14H2,2H3
Definition date:2023-09-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
NYG
NYG
Name:[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:C15 H16 N4 O5
SMILES:O=C(N)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:InChI=1S/C15H16N4O5/c16-10(6-12(17)21)14-18-11(15(24)19(14)7-13(22)23)5-8-1-3-9(20)4-2-8/h1-5,10,20H,6-7,16H2,(H2,17,21)(H,22,23)/b11-5-/t10-/m0/s1
Synonyms:CHROMOPHORE (ASN-TYR-GLY)
Definition date:2007-01-19
Last modified:2023-11-03
Identifier:{(4Z)-2-[(1S)-1,3-diamino-3-oxopropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
ODX
ODX
Name:2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C19 H22 Cl N3 O2
SMILES:O=C(Nc1cnccc1C)Cc1cc(NC2CCCC2O)cc(Cl)c1
InChi:InChI=1S/C19H22ClN3O2/c1-12-5-6-21-11-17(12)23-19(25)9-13-7-14(20)10-15(8-13)22-16-3-2-4-18(16)24/h5-8,10-11,16,18,22,24H,2-4,9H2,1H3,(H,23,25)/t16-,18-/m0/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
S1U
S1U
Name:(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C33 H35 Cl N6 O2
SMILES:CCN1CCN(CC1)c1ccc(NC(=O)CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccccc32)cc1
InChi:InChI=1S/C33H35ClN6O2/c1-2-38-13-15-40(16-14-38)27-11-9-26(10-12-27)36-32(41)22-39-20-24-7-8-25(34)17-29(24)30(21-39)33(42)37-31-19-35-18-23-5-3-4-6-28(23)31/h3-12,17-19,30H,2,13-16,20-22H2,1H3,(H,36,41)(H,37,42)/t30-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
U3X
U3X
Name:4-[(cyclohexylmethyl)amino]-L-phenylalanine
Formula:C16 H24 N2 O2
SMILES:O=C(O)C(N)Cc2ccc(NCC1CCCCC1)cc2
InChi:InChI=1S/C16H24N2O2/c17-15(16(19)20)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h6-9,13,15,18H,1-5,10-11,17H2,(H,19,20)/t15-/m0/s1
Definition date:2013-05-06
Last modified:2023-11-03
Release date:2013-06-19
Identifier:4-[(cyclohexylmethyl)amino]-L-phenylalanine
NYR
NYR
Name:N-(3-chlorophenyl)-2-(3-methyl-1H-pyrazol-4-yl)acetamide
Formula:C12 H12 Cl N3 O
SMILES:O=C(Cc1c[NH]nc1C)Nc1cccc(Cl)c1
InChi:InChI=1S/C12H12ClN3O/c1-8-9(7-14-16-8)5-12(17)15-11-4-2-3-10(13)6-11/h2-4,6-7H,5H2,1H3,(H,14,16)(H,15,17)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(3-chlorophenyl)-2-(3-methyl-1H-pyrazol-4-yl)acetamide
VRQ
VRQ
Name:N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
Formula:C23 H19 Cl N2 O3
SMILES:Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cccc3cc(C#N)ccc23)cc1
InChi:InChI=1S/C23H19ClN2O3/c1-3-23(27)26(2)11-12-28-22-14-18(24)8-10-21(22)29-20-6-4-5-17-13-16(15-25)7-9-19(17)20/h3-10,13-14H,1,11-12H2,2H3
Definition date:2023-09-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
5SQ
5SQ
Name:2-[2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:C17 H17 N5 O4
SMILES:N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O
InChi:InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5-/t13-/m0/s1
Synonyms:GREEN CHROMOPHORE (HIS-TYR-GLY)
Definition date:2015-11-24
Last modified:2023-11-03
Release date:2016-08-03
Identifier:2-[2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
OE6
OE6
Name:N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide
Formula:C14 H11 Cl N4 O
SMILES:Clc1cccc(c1)CC(=O)Nn1nnc2ccccc21
InChi:InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-14(20)17-19-13-7-2-1-6-12(13)16-18-19/h1-8H,9H2,(H,17,20)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide
TPL
TPL
Name:TRYPTOPHANOL
Formula:C11 H14 N2 O
SMILES:OCC(N)Cc2c1ccccc1nc2
InChi:InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1
Synonyms:2-AMINO-3-(1H-INDOL-3-YL)-PROPAN-1-OL
Definition date:2000-02-08
Last modified:2023-11-03
Identifier:(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol
Q1U
Q1U
Name:2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
Formula:C18 H15 Cl N2 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OC
InChi:InChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
TPN
TPN
Name:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE
Formula:C11 H17 N4 O5
SMILES:O=C(N(CC(=O)O)CC[NH3+])CN1C=C(C(=O)NC1=O)C
InChi:InChI=1S/C11H16N4O5/c1-7-4-15(11(20)13-10(7)19)5-8(16)14(3-2-12)6-9(17)18/h4H,2-3,5-6,12H2,1H3,(H,17,18)(H,13,19,20)/p+1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:2-{(carboxymethyl)[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]amino}ethanaminium

223532

數據於2024-08-07公開中

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