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1OL

1OL
Name:	(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
Formula:	C10 H21 N O3
SMILES:	O=C(O)C(C)CC(O)C(N)CC(C)C
InChi:	InChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
Synonyms:	Leu*Ala
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid

1OP

1OP
Name:	O-(5-hydroxypentyl)-L-tyrosine
Formula:	C14 H21 N O4
SMILES:	O=C(O)C(N)Cc1ccc(OCCCCCO)cc1
InChi:	InChI=1S/C14H21NO4/c15-13(14(17)18)10-11-4-6-12(7-5-11)19-9-3-1-2-8-16/h4-7,13,16H,1-3,8-10,15H2,(H,17,18)/t13-/m0/s1
Definition date:	2013-04-11
Last modified:	2023-11-03
Release date:	2013-06-12
Identifier:	O-(5-hydroxypentyl)-L-tyrosine

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

1PA

1PA
Name:	4-(carboxymethyl)-L-phenylalanine
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CC(=O)O
InChi:	InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
Synonyms:	p-(carboxymethyl)phenylalanine
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-(carboxymethyl)-L-phenylalanine

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

1QI

1QI
Name:	(2R,4S,5S)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
Formula:	C15 H23 N O3
SMILES:	CC(C)[CH](N)[CH](O)C[CH](Cc1ccccc1)C(O)=O
InChi:	InChI=1S/C15H23NO3/c1-10(2)14(16)13(17)9-12(15(18)19)8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,16H2,1-2H3,(H,18,19)/t12-,13+,14+/m1/s1
Definition date:	2021-06-14
Last modified:	2023-11-03
Release date:	2021-08-11
Identifier:	(2~{R},4~{S},5~{S})-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid

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

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

1JM

1JM
Name:	4-carboxy-N-methyl-D-phenylalanine
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(NC)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C11H13NO4/c1-12-9(11(15)16)6-7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
Definition date:	2013-02-15
Last modified:	2023-11-03
Release date:	2013-11-06
Identifier:	4-carboxy-N-methyl-D-phenylalanine

LTU

LTU
Name:	2-Amino-3-hydroxy-3-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]propanoic acid
Formula:	C16 H20 N2 O4
SMILES:	CC(C)([CH]1CO1)n2cc([CH](O)[CH](N)C(O)=O)c3ccccc23
InChi:	InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13+,14-/m1/s1
Synonyms:	(2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid
Definition date:	2022-07-12
Last modified:	2023-11-03
Release date:	2023-03-29
Identifier:	(2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid

LUC

LUC
Name:	2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C17 H16 Cl N3 O3
SMILES:	Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1
InChi:	InChI=1S/C17H16ClN3O3/c1-10-2-3-19-9-14(10)20-15(22)6-11-4-12(18)7-13(5-11)24-17-8-16(23)21-17/h2-5,7,9,17H,6,8H2,1H3,(H,20,22)(H,21,23)/t17-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide

LV9

LV9
Name:	N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea
Formula:	C18 H21 N3 O2
SMILES:	O=C(NC1(CCOCC1)Cc1ccccc1)Nc1cccnc1
InChi:	InChI=1S/C18H21N3O2/c22-17(20-16-7-4-10-19-14-16)21-18(8-11-23-12-9-18)13-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H2,20,21,22)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea

LVM

LVM
Name:	N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide
Formula:	C14 H18 N2 O
SMILES:	O=C(Nc1cnccc1C)CC1CC2(CC2)C1
InChi:	InChI=1S/C14H18N2O/c1-10-2-5-15-9-12(10)16-13(17)6-11-7-14(8-11)3-4-14/h2,5,9,11H,3-4,6-8H2,1H3,(H,16,17)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide

1TQ

1TQ
Name:	6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN
Formula:	C12 H13 N3 O4
SMILES:	O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)NC=O
InChi:	InChI=1S/C12H13N3O4/c13-8(12(18)19)3-6-4-14-10-7(6)1-2-9(11(10)17)15-5-16/h1-2,4-5,8,14,17H,3,13H2,(H,15,16)(H,18,19)/t8-/m0/s1
Definition date:	2006-08-22
Last modified:	2023-11-03
Identifier:	6-(formylamino)-7-hydroxy-L-tryptophan

1TY

1TY
Name:	3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-1,4-DIEN-1-YL}ALANINE
Formula:	C17 H18 N2 O4
SMILES:	O=C2C=C(O)/C(=N/CCc1ccccc1)C=C2CC(C(=O)O)N
InChi:	InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,13,21H,6-8,18H2,(H,22,23)/b19-14+/t13-/m0/s1
Definition date:	2005-07-07
Last modified:	2023-11-03
Identifier:	3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine

1U8

1U8
Name:	(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
Formula:	C14 H17 N O5
SMILES:	O=C(O)CC(N)C(=O)COC(=O)c1c(cccc1C)C
InChi:	InChI=1S/C14H17NO5/c1-8-4-3-5-9(2)13(8)14(19)20-7-11(16)10(15)6-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,17,18)/t10-/m0/s1
Definition date:	2013-03-28
Last modified:	2023-11-03
Release date:	2013-06-12
Identifier:	(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid

LWI

LWI
Name:	2-(aminomethyl)-L-phenylalanine
Formula:	C10 H14 N2 O2
SMILES:	NC(Cc1ccccc1CN)C(O)=O
InChi:	InChI=1S/C10H14N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1
Definition date:	2020-06-09
Last modified:	2023-11-03
Release date:	2021-03-31
Identifier:	2-(aminomethyl)-L-phenylalanine

LWO

LWO
Name:	2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
Formula:	C20 H19 N5 O S
SMILES:	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC)cc1
InChi:	InChI=1S/C20H19N5OS/c1-21-16-6-8-17(9-7-16)24(12-15-10-11-27-14-15)20(26)13-25-19-5-3-2-4-18(19)22-23-25/h2-11,14,21H,12-13H2,1H3
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide

LXF

LXF
Name:	N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide
Formula:	C17 H17 N3 O3 S2
SMILES:	O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O
InChi:	InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide

1WI

1WI
Name:	1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
Formula:	C25 H27 F N4 O4
SMILES:	CCC(CC)N1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F
InChi:	InChI=1S/C25H27FN4O4/c1-3-17(4-2)29-12-11-28(15-22(29)31)24(33)19-13-16(9-10-20(19)26)14-30-21-8-6-5-7-18(21)23(32)27-25(30)34/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,27,32,34)
Definition date:	2022-11-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione

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