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Y3T

Y3T
Name:	N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide
Formula:	C20 H23 Cl F N3 O3
SMILES:	Fc1ccc(NC(=O)c2ccc(OC)c(NC(=O)CCCN(C)C)c2)cc1Cl
InChi:	InChI=1S/C20H23ClFN3O3/c1-25(2)10-4-5-19(26)24-17-11-13(6-9-18(17)28-3)20(27)23-14-7-8-16(22)15(21)12-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,27)(H,24,26)
Definition date:	2023-01-03
Last modified:	2024-09-27
Release date:	2024-02-28
Identifier:	N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide

ZIN

ZIN
Name:	7-(pyridin-2-ylmethyl)quinolin-8-ol
Formula:	C15 H12 N2 O
SMILES:	Oc1c(ccc2cccnc12)Cc3ncccc3
InChi:	InChI=1S/C15H12N2O/c18-15-12(10-13-5-1-2-8-16-13)7-6-11-4-3-9-17-14(11)15/h1-9,18H,10H2
Definition date:	2009-09-15
Last modified:	2024-09-27
Identifier:	7-(pyridin-2-ylmethyl)quinolin-8-ol

YUN

YUN
Name:	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
Formula:	C17 H15 Br N4 O
SMILES:	Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)CC
InChi:	InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
Definition date:	2013-08-02
Last modified:	2024-09-27
Release date:	2013-09-11
Identifier:	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide

WIO

WIO
Name:	(1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H36 F N3 O9 S
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Oc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H36FN3O9S/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1
Definition date:	2022-09-13
Last modified:	2024-09-27
Release date:	2022-09-21
Identifier:	(1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

PMI

PMI
Name:	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID
Formula:	C9 H12 N O3 P
SMILES:	O=P(O)(O)C2(N)Cc1ccccc1C2
InChi:	InChI=1S/C9H12NO3P/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9/h1-4H,5-6,10H2,(H2,11,12,13)
Synonyms:	2-AMINOINDAN-2-PHOSPHONIC ACID
Definition date:	2006-12-14
Last modified:	2024-09-27
Identifier:	(2-amino-2,3-dihydro-1H-inden-2-yl)phosphonic acid

YHD

YHD
Name:	N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide
Formula:	C20 H25 B N2 O3
SMILES:	O=C(NC(Cc1ccc(cc1)c1ccccc1)B(O)O)C1CCCN1C
InChi:	InChI=1S/C20H25BN2O3/c1-23-13-5-8-18(23)20(24)22-19(21(25)26)14-15-9-11-17(12-10-15)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,25-26H,5,8,13-14H2,1H3,(H,22,24)/t18-,19-/m0/s1
Definition date:	2021-03-08
Last modified:	2024-09-27
Release date:	2021-09-22
Identifier:	N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide

NYQ

NYQ
Name:	5-bromanyl-1,3-dihydroindol-2-one
Formula:	C8 H6 Br N O
SMILES:	Brc1ccc2NC(=O)Cc2c1
InChi:	InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
Definition date:	2020-01-10
Last modified:	2024-09-27
Release date:	2020-11-25
Identifier:	5-bromanyl-1,3-dihydroindol-2-one

SUH

SUH
Name:	(2S)-2-methylbutanedioic acid
Formula:	C5 H8 O4
SMILES:	O=C(O)CC(C(=O)O)C
InChi:	InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:	2014-07-28
Last modified:	2024-09-27
Release date:	2014-08-20
Identifier:	(2S)-2-methylbutanedioic acid

SUI

SUI
Name:	(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
Formula:	C6 H8 N2 O4
SMILES:	O=C1N(C(=O)CC1N)CC(=O)O
InChi:	InChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)/t3-/m0/s1
Definition date:	2001-08-20
Last modified:	2024-09-27
Identifier:	[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]acetic acid

RMM

RMM
Name:	(2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide
Formula:	C13 H10 N4 O
SMILES:	N#C/C(C(=O)N)=Cc1cccc(c1)c2cnnc2
InChi:	InChI=1S/C13H10N4O/c14-6-11(13(15)18)5-9-2-1-3-10(4-9)12-7-16-17-8-12/h1-5,7-8H,(H2,15,18)(H,16,17)/b11-5+
Definition date:	2013-09-09
Last modified:	2024-09-27
Release date:	2014-10-22
Identifier:	(2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide

W3F

W3F
Name:	(3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
Formula:	C30 H27 F N4 O5
SMILES:	O=C(Nc1c(C)c(/C=C2/c3cc(ccc3NC2=O)C(=O)NC(C)c2ccc(F)cc2)[NH]c1C)C(O)c1ccco1
InChi:	InChI=1S/C30H27FN4O5/c1-15-24(32-17(3)26(15)35-30(39)27(36)25-5-4-12-40-25)14-22-21-13-19(8-11-23(21)34-29(22)38)28(37)33-16(2)18-6-9-20(31)10-7-18/h4-14,16,27,32,36H,1-3H3,(H,33,37)(H,34,38)(H,35,39)/b22-14-/t16-,27+/m1/s1
Definition date:	2023-09-22
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	(3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide

WIQ

WIQ
Name:	3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide
Formula:	C26 H30 Cl N7 O3
SMILES:	CCC(=O)N1CC(CC1COC)n1nc(C#Cc2cc3ncn(C4CC4)c3cc2Cl)c(c1NC)C(N)=O
InChi:	InChI=1S/C26H30ClN7O3/c1-4-23(35)32-12-17(10-18(32)13-37-3)34-26(29-2)24(25(28)36)20(31-34)8-5-15-9-21-22(11-19(15)27)33(14-30-21)16-6-7-16/h9,11,14,16-18,29H,4,6-7,10,12-13H2,1-3H3,(H2,28,36)/t17-,18+/m0/s1
Definition date:	2023-10-04
Last modified:	2024-09-27
Release date:	2024-02-07
Identifier:	3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide

XC4

XC4
Name:	1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole
Formula:	C15 H10 N4 O2
SMILES:	c2cc1nccc1cc2C(=O)On3c4c(nn3)cccc4
InChi:	InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
Definition date:	2020-12-09
Last modified:	2024-09-27
Release date:	2020-12-16
Identifier:	1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole

ZIQ

ZIQ
Name:	alpha-methyl-L-tryptophan
Formula:	C12 H14 N2 O2
SMILES:	NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:	InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
Definition date:	2018-06-13
Last modified:	2024-09-27
Release date:	2020-01-01
Identifier:	alpha-methyl-L-tryptophan

NYS

NYS
Name:	S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
Formula:	C11 H16 N2 O5 S
SMILES:	O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN
InChi:	InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1
Definition date:	2007-10-08
Last modified:	2024-09-27
Identifier:	S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine

SUJ

SUJ
Name:	(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
Formula:	C9 H16 N2 O5
SMILES:	O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C
InChi:	InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1
Definition date:	2003-07-31
Last modified:	2024-09-27
Identifier:	(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid

QUA

QUA
Name:	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID
Formula:	C12 H13 N O4
SMILES:	O=C(O)c1nc2c(c(c1)C(O)C)C=CCC2O
InChi:	InChI=1S/C12H13NO4/c1-6(14)8-5-9(12(16)17)13-11-7(8)3-2-4-10(11)15/h2-3,5-6,10,14-15H,4H2,1H3,(H,16,17)/t6-,10-/m0/s1
Definition date:	2000-11-02
Last modified:	2024-09-27
Identifier:	(8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid

NK
Name:	SALICYLALDEHYDE
Formula:	C7 H6 O2
SMILES:	O=Cc1ccccc1O
InChi:	InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
Definition date:	2005-11-14
Last modified:	2024-09-27
Identifier:	2-hydroxybenzaldehyde

S0Z

S0Z
Name:	methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
Formula:	C17 H16 B N O5
SMILES:	COC(=O)[CH](NC(=O)c1ccc2COB(O)c2c1)c3ccccc3
InChi:	InChI=1S/C17H16BNO5/c1-23-17(21)15(11-5-3-2-4-6-11)19-16(20)12-7-8-13-10-24-18(22)14(13)9-12/h2-9,15,22H,10H2,1H3,(H,19,20)/t15-/m1/s1
Synonyms:	methyl (2R)-2-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate
Definition date:	2020-11-04
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	methyl (2~{R})-2-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate

UTU

UTU
Name:	[2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C24 H36 F N3 O8 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H36FN3O8S2/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-09-07
Identifier:	(1R,2S)-2-{[N-({2-[(3-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

SUN

SUN
Name:	O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPHORYL]-L-SERINE
Formula:	C7 H17 N2 O5 P
SMILES:	O=P(OCC)(OCC(N)C(=O)O)N(C)C
InChi:	InChI=1S/C7H17N2O5P/c1-4-13-15(12,9(2)3)14-5-6(8)7(10)11/h6H,4-5,8H2,1-3H3,(H,10,11)/t6-,15+/m0/s1
Synonyms:	TABUN CONJUGATED SERINE
Definition date:	2007-01-25
Last modified:	2024-09-27
Identifier:	O-[(R)-(dimethylamino)(ethoxy)phosphoryl]-L-serine

YHI

YHI
Name:	benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Formula:	C23 H31 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C
InChi:	InChI=1S/C23H31N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,15-19,27H,8-13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1
Definition date:	2021-03-08
Last modified:	2024-09-27
Release date:	2021-03-17
Identifier:	benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

V9C

V9C
Name:	2-phenylethylcarbamic acid
Formula:	C9 H11 N O2
SMILES:	OC(=O)NCCc1ccccc1
InChi:	InChI=1S/C9H11NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
Definition date:	2017-01-09
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	2-phenylethylcarbamic acid

WYK

WYK
Name:	(2S,4S)-4-hydroxy-L-arginine
Formula:	C6 H14 N4 O3
SMILES:	N[CH](C[CH](O)CNC(N)=N)C(O)=O
InChi:	InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1
Synonyms:	(2S,4S)-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid
Definition date:	2023-05-23
Last modified:	2024-09-27
Release date:	2023-08-09
Identifier:	(2~{S},4~{S})-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid

YHJ

YHJ
Name:	benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Formula:	C23 H31 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)OCc1ccccc1
InChi:	InChI=1S/C23H31N3O5/c27-13-18(11-16-9-10-24-21(16)28)25-22(29)20-19-8-4-7-17(19)12-26(20)23(30)31-14-15-5-2-1-3-6-15/h1-3,5-6,16-20,27H,4,7-14H2,(H,24,28)(H,25,29)/t16-,17-,18-,19-,20-/m0/s1
Definition date:	2021-03-08
Last modified:	2024-09-27
Release date:	2021-03-17
Identifier:	benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate

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