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DI7

DI7
Name:	2,6-dimethyl-L-tyrosine
Formula:	C11 H15 N O3
SMILES:	O=C(O)C(N)Cc1c(cc(O)cc1C)C
InChi:	InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
Definition date:	2014-12-10
Last modified:	2023-11-03
Release date:	2015-01-14
Identifier:	2,6-dimethyl-L-tyrosine

DIB

DIB
Name:	3-AMINO-(DIMETHYLPROPYLAMINE)
Formula:	C5 H14 N2
SMILES:	NCCCN(C)C
InChi:	InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3
Definition date:	2002-08-08
Last modified:	2023-11-03
Identifier:	N,N-dimethylpropane-1,3-diamine

DIX

DIX
Name:	METHYL(CYCLOPENTYL-PROPYL)AMINE
Formula:	C9 H19 N
SMILES:	N(CCCC1CCCC1)C
InChi:	InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-cyclopentyl-N-methylpropan-1-amine

DJD

DJD
Name:	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
Formula:	C12 H13 N5 O2
SMILES:	NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O
InChi:	InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1
Definition date:	2017-10-26
Last modified:	2023-11-03
Release date:	2019-10-02
Identifier:	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine

ASL

ASL
Name:	ASPARTIC ACID-4-CARBOXYETHYL ESTER
Formula:	C7 H11 N O6
SMILES:	O=C(OC(C(=O)O)C)CC(C(=O)O)N
InChi:	InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13)
Definition date:	1999-09-09
Last modified:	2023-11-03
Identifier:	2-amino-4-(1-carboxyethoxy)-4-oxobutanoic acid (non-preferred name)

AY0

AY0
Name:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid
Formula:	C12 H14 N O7 P
SMILES:	O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O
InChi:	InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1
Definition date:	2010-10-09
Last modified:	2023-11-03
Identifier:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid

B3U

B3U
Name:	2-amino-L-histidine
Formula:	C6 H10 N4 O2
SMILES:	O=C(O)C(N)Cc1cnc(N)n1
InChi:	InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
Definition date:	2007-11-07
Last modified:	2023-11-03
Identifier:	2-amino-L-histidine

IYR

IYR
Name:	3-IODO-TYROSINE
Formula:	C9 H10 I N O3
SMILES:	Ic1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-iodo-L-tyrosine

J2F

J2F
Name:	(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid
Formula:	C16 H16 N2 O5
SMILES:	N[CH](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(O)=O
InChi:	InChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1
Definition date:	2022-08-04
Last modified:	2023-11-03
Release date:	2022-09-21
Identifier:	(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid

J3D

J3D
Name:	N-carboxy-L-cysteine
Formula:	C4 H7 N O4 S
SMILES:	C(S)C(C(O)=O)NC(=O)O
InChi:	InChI=1S/C4H7NO4S/c6-3(7)2(1-10)5-4(8)9/h2,5,10H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
Definition date:	2018-08-06
Last modified:	2023-11-03
Release date:	2019-08-07
Identifier:	N-carboxy-L-cysteine

J3K

J3K
Name:	(2~{R})-1-azanylpropan-2-ol
Formula:	C3 H9 N O
SMILES:	C[CH](O)CN
InChi:	InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1
Definition date:	2019-01-17
Last modified:	2023-11-03
Release date:	2020-04-15
Identifier:	(2~{R})-1-azanylpropan-2-ol

J8W

J8W
Name:	(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
Formula:	C6 H9 N O6
SMILES:	N[CH](COC(=O)CC(O)=O)C(O)=O
InChi:	InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
Definition date:	2019-02-11
Last modified:	2023-11-03
Release date:	2020-03-18
Identifier:	(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid

JBY

JBY
Name:	(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid
Formula:	C14 H15 N3 O4
SMILES:	C1(=NC(C(=O)N1C(C(=O)O)C)=C/c2ccc(O)cc2)CN
InChi:	InChI=1S/C14H15N3O4/c1-8(14(20)21)17-12(7-15)16-11(13(17)19)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,20,21)/b11-6-/t8-/m0/s1
Synonyms:	Gly-Ala-Try Chromophore
Definition date:	2018-08-29
Last modified:	2023-11-03
Release date:	2019-03-13
Identifier:	(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid

JMO

JMO
Name:	(2R)-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid
Formula:	C9 H14 N2 O4
SMILES:	CN[CH](C)C(=O)O[CH](CCC#N)C(O)=O
InChi:	InChI=1S/C9H14N2O4/c1-6(11-2)9(14)15-7(8(12)13)4-3-5-10/h6-7,11H,3-4H2,1-2H3,(H,12,13)/t6-,7+/m0/s1
Definition date:	2022-05-05
Last modified:	2023-11-03
Release date:	2023-03-22
Identifier:	(2~{R})-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid

JMX

JMX
Name:	(2S)-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-(methylamino)propanoic acid
Formula:	C19 H19 Br N2 O2
SMILES:	CN[CH](Cc1cn(Cc2ccc(Br)cc2)c3ccccc13)C(O)=O
InChi:	InChI=1S/C19H19BrN2O2/c1-21-17(19(23)24)10-14-12-22(18-5-3-2-4-16(14)18)11-13-6-8-15(20)9-7-13/h2-9,12,17,21H,10-11H2,1H3,(H,23,24)/t17-/m0/s1
Synonyms:	SC45647
Definition date:	2022-05-05
Last modified:	2023-11-03
Release date:	2023-03-22
Identifier:	(2~{S})-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-(methylamino)propanoic acid

ZXH

ZXH
Name:	N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide
Formula:	C23 H28 Cl N3 O3
SMILES:	OC1COCC1(C)N1CCC(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl
InChi:	InChI=1S/C23H28ClN3O3/c1-23(13-30-12-20(23)28)27-6-4-14(5-7-27)18-8-16-10-21(26-22(29)15-2-3-15)25-11-17(16)9-19(18)24/h8-11,14-15,20,28H,2-7,12-13H2,1H3,(H,25,26,29)/t20-,23+/m0/s1
Definition date:	2023-04-17
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide

ZXL

ZXL
Name:	(1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
Formula:	C27 H32 Cl N5 O3
SMILES:	OC1COCC1(C)N1CCC(CC1)c1cc2cc(NC(=O)C3CC3c3cn(C)nc3)ncc2cc1Cl
InChi:	InChI=1S/C27H32ClN5O3/c1-27(15-36-14-24(27)34)33-5-3-16(4-6-33)21-7-17-9-25(29-11-18(17)8-23(21)28)31-26(35)22-10-20(22)19-12-30-32(2)13-19/h7-9,11-13,16,20,22,24,34H,3-6,10,14-15H2,1-2H3,(H,29,31,35)/t20-,22+,24+,27-/m1/s1
Definition date:	2023-04-17
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide

YT9

YT9
Name:	3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol
Formula:	C7 H15 B N O6
SMILES:	OCC1(N)CO[B-]2(OCC(O)CO2)OC1
InChi:	InChI=1S/C7H15BNO6/c9-7(3-10)4-14-8(15-5-7)12-1-6(11)2-13-8/h6,10-11H,1-5,9H2/q-1/t6-,7-,8-/m0/s1
Definition date:	2023-06-20
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	[(2S)-2-amino-2-[(hydroxy-kappaO)methyl]propane-1,3-diolato(2-)-kappaO~1~][(2S)-propane-1,2,3-triolato(2-)-kappa~2~O~1~,O~3~]borate(1-)

TJI

TJI
Name:	ethyl 3-bromanyl-2-methyl-propanoate
Formula:	C6 H11 Br O2
SMILES:	CCOC(=O)[CH](C)CBr
InChi:	InChI=1S/C6H11BrO2/c1-3-9-6(8)5(2)4-7/h5H,3-4H2,1-2H3/t5-/m0/s1
Synonyms:	Ethyl 2-(bromomethyl)acrylate (precursor)
Definition date:	2023-01-06
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	ethyl 3-bromanyl-2-methyl-propanoate

W9C

W9C
Name:	(1S,3S,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-alpha-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylate
Formula:	C27 H41 O8
SMILES:	CC(C)C1CC2CC3(C=O)C4CCC(C)C4CC2(COC2OC(C)C(OC)C(O)C2O)C13C([O-])=O
InChi:	InChI=1S/C27H42O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h11,13-23,29-30H,6-10,12H2,1-5H3,(H,31,32)/p-1/t14-,15-,16+,17-,18-,19+,20+,21+,22-,23+,25+,26+,27+/m1/s1
Definition date:	2023-09-27
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(1S,3S,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-alpha-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylate

YBK

YBK
Name:	8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide
Formula:	C28 H25 F5 N4 O4
SMILES:	CC(C)(O)c1cc(nc(c2ccc(F)cc2)c1F)C(O)(CNC(=O)c1cc2cc(C)nnc2c(c1)OC)C(F)(F)F
InChi:	InChI=1S/C28H25F5N4O4/c1-14-9-16-10-17(11-20(41-4)23(16)37-36-14)25(38)34-13-27(40,28(31,32)33)21-12-19(26(2,3)39)22(30)24(35-21)15-5-7-18(29)8-6-15/h5-12,39-40H,13H2,1-4H3,(H,34,38)/t27-/m0/s1
Definition date:	2023-01-23
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide

ZWW

ZWW
Name:	3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C50 H57 N5 O20
SMILES:	Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(Cc5[nH]cc(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O
InChi:	InChI=1S/C50H57N5O20/c1-22-28(12-46(66)67)24(3-8-42(58)59)34(52-22)18-38-31(15-49(72)73)26(5-10-44(62)63)36(54-38)20-40-32(16-50(74)75)27(6-11-45(64)65)37(55-40)19-39-30(14-48(70)71)25(4-9-43(60)61)35(53-39)17-33-29(13-47(68)69)23(21-51-33)2-7-41(56)57/h21,51-55H,2-20H2,1H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)
Definition date:	2023-07-06
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid

5A5

5A5
Name:	2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
Formula:	C14 H16 N2 O2 S
SMILES:	CC(C)c1ccc(Cc2sc(N)nc2C(O)=O)cc1
InChi:	InChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18)
Definition date:	2023-01-09
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid

FX9

FX9
Name:	(2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
Formula:	C10 H10 F3 N O2
SMILES:	N[CH](Cc1cccc(c1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
Definition date:	2020-06-30
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(2~{S})-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid

FXC

FXC
Name:	(2R)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
Formula:	C10 H10 F3 N O2
SMILES:	N[CH](Cc1cccc(c1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
Definition date:	2020-06-30
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(2~{R})-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid

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