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LPV

LPV
Name:	(2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide
Formula:	C24 H34 N2 O3
SMILES:	CCCCc1ccc(OCC[CH](Cc2ccccc2)NC(=O)[CH](O)[CH](C)N)cc1
InChi:	InChI=1S/C24H34N2O3/c1-3-4-8-19-11-13-22(14-12-19)29-16-15-21(17-20-9-6-5-7-10-20)26-24(28)23(27)18(2)25/h5-7,9-14,18,21,23,27H,3-4,8,15-17,25H2,1-2H3,(H,26,28)/t18-,21-,23+/m0/s1
Definition date:	2022-07-07
Last modified:	2023-11-03
Release date:	2023-10-25
Identifier:	(2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide

LQ0

LQ0
Name:	2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C16 H14 Cl N3 O
SMILES:	Cc1ccncc1NC(=O)Cn1ccc2ccc(Cl)cc21
InChi:	InChI=1S/C16H14ClN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide

LQU

LQU
Name:	3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile
Formula:	C18 H16 N2 O
SMILES:	N#Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O
InChi:	InChI=1S/C18H16N2O/c1-13(21)20-11-16-6-2-3-8-17(16)18(12-20)15-7-4-5-14(9-15)10-19/h2-9,18H,11-12H2,1H3/t18-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile

LR0

LR0
Name:	(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
Formula:	C16 H14 F N3 O2
SMILES:	O=C(Nc1cnccc1NC(C)=O)C1Cc2ccc(F)cc21
InChi:	InChI=1S/C16H14FN3O2/c1-9(21)19-14-4-5-18-8-15(14)20-16(22)13-6-10-2-3-11(17)7-12(10)13/h2-5,7-8,13H,6H2,1H3,(H,20,22)(H,18,19,21)/t13-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

LRC

LRC
Name:	2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C13 H12 Cl N3 O
SMILES:	O=C(Nc1cnccc1C)Cc1cc(Cl)cnc1
InChi:	InChI=1S/C13H12ClN3O/c1-9-2-3-15-8-12(9)17-13(18)5-10-4-11(14)7-16-6-10/h2-4,6-8H,5H2,1H3,(H,17,18)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide

LRN

LRN
Name:	1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
Formula:	C20 H36 N2 O2
SMILES:	O=C(C)N1CCCC(C1)N(CC1CCCCC1)C1CCC(O)CC1
InChi:	InChI=1S/C20H36N2O2/c1-16(23)21-13-5-8-19(15-21)22(14-17-6-3-2-4-7-17)18-9-11-20(24)12-10-18/h17-20,24H,2-15H2,1H3/t18-,19-,20-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one

LS0

LS0
Name:	2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C16 H14 F N3 O
SMILES:	Cc1ccncc1NC(=O)Cn1ccc2ccc(F)cc21
InChi:	InChI=1S/C16H14FN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide

LSF

LSF
Name:	N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide
Formula:	C17 H17 N3 O3
SMILES:	Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1
InChi:	InChI=1S/C17H17N3O3/c1-11-5-6-18-10-14(11)19-15(21)8-12-3-2-4-13(7-12)23-17-9-16(22)20-17/h2-7,10,17H,8-9H2,1H3,(H,19,21)(H,20,22)/t17-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide

LSO

LSO
Name:	(Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-2-OXOBUTYL)SULFONYL]METHYL}PROPYLIDENE)-L-LYSINE
Formula:	C16 H26 N2 O9 S
SMILES:	O=S(=O)(C/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CC(=O)CCC(=O)O
InChi:	InChI=1S/C16H26N2O9S/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-28(26,27)10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1
Synonyms:	2-AMINO-6-[3-CARBOXY-2-OXO-BUTANE-1-SULFONYLMETHYL-PROPYLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-L-lysine

3TY

3TY
Name:	3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE
Formula:	C16 H17 N3 O4
SMILES:	O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N
InChi:	InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1
Definition date:	2004-08-11
Last modified:	2023-11-03
Identifier:	3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

LT9

LT9
Name:	1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide
Formula:	C17 H15 Cl N2 O2
SMILES:	O=C(Nc1cnccc1C)C1(CC(=O)C1)c1cccc(Cl)c1
InChi:	InChI=1S/C17H15ClN2O2/c1-11-5-6-19-10-15(11)20-16(22)17(8-14(21)9-17)12-3-2-4-13(18)7-12/h2-7,10H,8-9H2,1H3,(H,20,22)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide

LTA

LTA
Name:	4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER
Formula:	C10 H22 N2 O3
SMILES:	O=C(OCC)CC(O)C(N)CCCCN
InChi:	InChI=1S/C10H22N2O3/c1-2-15-10(14)7-9(13)8(12)5-3-4-6-11/h8-9,13H,2-7,11-12H2,1H3/t8-,9-/m0/s1
Synonyms:	STATINE ANALOGUE
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	ethyl (3S,4S)-4,8-diamino-3-hydroxyoctanoate

3U0

3U0
Name:	2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid
Formula:	C10 H13 N3 O2
SMILES:	NC(=N)NCc1ccc(CC(O)=O)cc1
InChi:	InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-7(2-4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13)
Synonyms:	2-[4-[(diaminomethylideneamino)methyl]phenyl]acetic acid
Definition date:	2014-10-24
Last modified:	2023-11-03
Release date:	2022-10-19
Identifier:	2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid

I3D

I3D
Name:	5,6-difluoro-tryptophan
Formula:	C11 H10 F2 N2 O2
SMILES:	N[CH](Cc1c[nH]c2cc(F)c(F)cc12)C(O)=O
InChi:	InChI=1S/C11H10F2N2O2/c12-7-2-6-5(1-9(14)11(16)17)4-15-10(6)3-8(7)13/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1
Synonyms:	(2S)-2-azanyl-3-[5,6-bis(fluoranyl)-1H-indol-3-yl]propanoic acid
Definition date:	2022-02-10
Last modified:	2023-11-03
Release date:	2022-11-23
Identifier:	(2~{S})-2-azanyl-3-[5,6-bis(fluoranyl)-1~{H}-indol-3-yl]propanoic acid

3V3

3V3
Name:	1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid
Formula:	C11 H23 N O6
SMILES:	O=C(O)CCOCCOCCOCCOCCN
InChi:	InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)
Definition date:	2014-11-09
Last modified:	2023-11-03
Release date:	2015-02-11
Identifier:	1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid

3V8

3V8
Name:	(4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline
Formula:	C10 H14 N4 O4
SMILES:	O=C(O)C2NCC(n1nnc(c1)CCC(=O)O)C2
InChi:	InChI=1S/C10H14N4O4/c15-9(16)2-1-6-5-14(13-12-6)7-3-8(10(17)18)11-4-7/h5,7-8,11H,1-4H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1
Definition date:	2014-11-12
Last modified:	2023-11-03
Release date:	2015-03-04
Identifier:	(4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline

3WT

3WT
Name:	(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid
Formula:	C10 H21 N O3
SMILES:	O=C(O)CC(OC)C(NC)C(C)CC
InChi:	InChI=1S/C10H21NO3/c1-5-7(2)10(11-3)8(14-4)6-9(12)13/h7-8,10-11H,5-6H2,1-4H3,(H,12,13)/t7-,8+,10-/m0/s1
Definition date:	2014-12-01
Last modified:	2023-11-03
Release date:	2015-03-25
Identifier:	(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid

3YM

3YM
Name:	3-methoxy-L-tyrosine
Formula:	C10 H13 N O4
SMILES:	O=C(O)C(N)Cc1cc(OC)c(O)cc1
InChi:	InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
Definition date:	2012-10-29
Last modified:	2023-11-03
Release date:	2013-10-30
Identifier:	3-methoxy-L-tyrosine

3ZH

3ZH
Name:	11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid
Formula:	C31 H51 N3 O4
SMILES:	O=C(O)C(N)CC1=CN(CCCCCCCCCCC(=O)O)CN1CCCCCCCCc2ccccc2
InChi:	InChI=1S/C31H51N3O4/c32-29(31(37)38)24-28-25-33(22-16-9-5-2-1-3-8-15-21-30(35)36)26-34(28)23-17-10-6-4-7-12-18-27-19-13-11-14-20-27/h11,13-14,19-20,25,29H,1-10,12,15-18,21-24,26,32H2,(H,35,36)(H,37,38)/t29-/m0/s1
Definition date:	2014-12-12
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid

40A

40A
Name:	N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
Formula:	C12 H17 N7 O3
SMILES:	O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC(N)C
InChi:	InChI=1S/C12H17N7O3/c1-7(13)2-18(4-9(21)22)8(20)3-19-6-17-10-11(14)15-5-16-12(10)19/h5-7H,2-4,13H2,1H3,(H,21,22)(H2,14,15,16)/t7-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

40C

40C
Name:	N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
Formula:	C11 H17 N5 O4
SMILES:	O=C(N(CC(=O)O)CC(N)C)CN1C=CC(=NC1=O)N
InChi:	InChI=1S/C11H17N5O4/c1-7(12)4-16(6-10(18)19)9(17)5-15-3-2-8(13)14-11(15)20/h2-3,7H,4-6,12H2,1H3,(H,18,19)(H2,13,14,20)/t7-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine

40G

40G
Name:	N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
Formula:	C12 H17 N7 O4
SMILES:	O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC(N)C
InChi:	InChI=1S/C12H17N7O4/c1-6(13)2-18(4-8(21)22)7(20)3-19-5-15-9-10(19)16-12(14)17-11(9)23/h5-6H,2-4,13H2,1H3,(H,21,22)(H3,14,16,17,23)/t6-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine

40T

40T
Name:	N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C12 H18 N4 O5
SMILES:	O=C(N(CC(=O)O)CC(N)C)CN1C=C(C(=O)NC1=O)C
InChi:	InChI=1S/C12H18N4O5/c1-7-3-16(12(21)14-11(7)20)5-9(17)15(4-8(2)13)6-10(18)19/h3,8H,4-6,13H2,1-2H3,(H,18,19)(H,14,20,21)/t8-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

IAE

IAE
Name:	(2S)-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
Formula:	C11 H12 F3 N O2
SMILES:	N[CH](CCc1ccc(cc1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C11H12F3NO2/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17/h1-2,4-5,9H,3,6,15H2,(H,16,17)/t9-/m0/s1
Definition date:	2022-06-23
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid

IAM

IAM
Name:	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE
Formula:	C13 H20 N2 O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CNC(C)C
InChi:	InChI=1S/C13H20N2O2/c1-9(2)15-8-11-5-3-10(4-6-11)7-12(14)13(16)17/h3-6,9,12,15H,7-8,14H2,1-2H3,(H,16,17)/t12-/m0/s1
Definition date:	2004-11-19
Last modified:	2023-11-03
Identifier:	4-{[(1-methylethyl)amino]methyl}-L-phenylalanine

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