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YW0

YW0
Name:	methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Formula:	C20 H27 N3 O4
SMILES:	C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O
InChi:	InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26)
Definition date:	2023-06-22
Last modified:	2024-09-27
Release date:	2024-03-06
Identifier:	methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate

JVX

JVX
Name:	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide
Formula:	C23 H30 Cl N3 O2
SMILES:	CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1)C(=O)NC(C)(C)C
InChi:	InChI=1S/C23H30ClN3O2/c1-22(2,3)17-9-11-18(12-10-17)27(19(28)14-24)20(16-8-7-13-25-15-16)21(29)26-23(4,5)6/h7-13,15,20H,14H2,1-6H3,(H,26,29)/t20-/m1/s1
Definition date:	2023-08-09
Last modified:	2024-09-27
Release date:	2024-01-24
Identifier:	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide

XZA

XZA
Name:	diazanecarboxylic acid
Formula:	C H4 N2 O2
SMILES:	NNC(O)=O
InChi:	InChI=1S/CH4N2O2/c2-3-1(4)5/h3H,2H2,(H,4,5)
Definition date:	2016-06-03
Last modified:	2024-09-27
Release date:	2017-06-28
Identifier:	diazanecarboxylic acid

YGX

YGX
Name:	(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
Formula:	C7 H14 O6
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m0/s1
Definition date:	2023-06-15
Last modified:	2024-09-27
Release date:	2023-10-04
Identifier:	(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol

SGR

SGR
Name:	O-[(R)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE
Formula:	C4 H11 N2 O5 P
SMILES:	O=P(OC)(OCC(N)C(=O)O)N
InChi:	InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12+/m0/s1
Definition date:	2007-02-13
Last modified:	2024-09-27
Identifier:	O-[(R)-amino(methoxy)phosphoryl]-L-serine

WMH

WMH
Name:	1-methyl-1H-1,2,3-triazole
Formula:	C3 H5 N3
SMILES:	n1(nncc1)C
InChi:	InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3
Definition date:	2019-08-23
Last modified:	2024-09-27
Release date:	2020-04-15
Identifier:	1-methyl-1H-1,2,3-triazole

VAY

VAY
Name:	{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate
Formula:	C22 H24 Br N5 O7 S2
SMILES:	C1C(COS(=O)(N)=O)C(C(C1Nc2c(cncn2)C(c4cc(C(C)(c3cccc(n3)Br)O)cs4)=O)O)O
InChi:	InChI=1S/C22H24BrN5O7S2/c1-22(32,16-3-2-4-17(23)28-16)12-6-15(36-9-12)19(30)13-7-25-10-26-21(13)27-14-5-11(18(29)20(14)31)8-35-37(24,33)34/h2-4,6-7,9-11,14,18,20,29,31-32H,5,8H2,1H3,(H2,24,33,34)(H,25,26,27)/t11-,14-,18-,20+,22+/m1/s1
Definition date:	2020-07-22
Last modified:	2024-09-27
Release date:	2021-03-10
Identifier:	{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate

S1E

S1E
Name:	N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide
Formula:	C22 H20 B N O3
SMILES:	OB1OCc2ccc(cc12)C(=O)N(Cc3ccccc3)Cc4ccccc4
InChi:	InChI=1S/C22H20BNO3/c25-22(19-11-12-20-16-27-23(26)21(20)13-19)24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2
Synonyms:	1-oxidanyl-N,N-bis(phenylmethyl)-3H-2,1-benzoxaborole-6-carboxamide
Definition date:	2020-11-05
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	1-oxidanyl-~{N},~{N}-bis(phenylmethyl)-3~{H}-2,1-benzoxaborole-6-carboxamide

ZK8

ZK8
Name:	hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid
Formula:	C16 H21 N2 O4 P
SMILES:	CCCCCC[P](O)(=O)Oc1cccnc1c2ncccc2O
InChi:	InChI=1S/C16H21N2O4P/c1-2-3-4-5-12-23(20,21)22-14-9-7-11-18-16(14)15-13(19)8-6-10-17-15/h6-11,19H,2-5,12H2,1H3,(H,20,21)
Definition date:	2023-06-27
Last modified:	2024-09-27
Release date:	2023-07-05
Identifier:	hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid

UGN

UGN
Name:	1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
Formula:	C15 H24 N2 O2 S
SMILES:	CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2
InChi:	InChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
Definition date:	2021-02-17
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine

SUU

SUU
Name:	(E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form
Formula:	C16 H13 N5 O
SMILES:	NC(=O)C(C#N)Cc1cccc(c1)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C16H13N5O/c17-8-12(15(18)22)7-10-2-1-3-11(6-10)14-13-4-5-19-16(13)21-9-20-14/h1-6,9,12H,7H2,(H2,18,22)(H,19,20,21)/t12-/m0/s1
Definition date:	2022-07-11
Last modified:	2024-09-27
Release date:	2022-08-31
Identifier:	(2S)-2-cyano-3-[(3M)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide

UUR

UUR
Name:	2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C22 H33 N3 O8 S2
SMILES:	CC(C)CC(NC(=O)OCCSc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C22H33N3O8S2/c1-14(2)12-17(25-22(29)33-10-11-34-16-6-4-3-5-7-16)20(27)24-18(21(28)35(30,31)32)13-15-8-9-23-19(15)26/h3-7,14-15,17-18,21,28H,8-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t15-,17-,18-,21-/m0/s1
Definition date:	2022-08-26
Last modified:	2024-09-27
Release date:	2022-09-07
Identifier:	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid

3UM

3UM
Name:	(5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid
Formula:	C20 H30 O4
SMILES:	O=C(O)C3(C)C2(O)C(C1CC=C(/C=C)C(C1CC2O)C)(C)CCC3
InChi:	InChI=1S/C20H30O4/c1-5-13-7-8-15-14(12(13)2)11-16(21)20(24)18(15,3)9-6-10-19(20,4)17(22)23/h5,7,12,14-16,21,24H,1,6,8-11H2,2-4H3,(H,22,23)/t12-,14-,15-,16+,18+,19+,20-/m0/s1
Definition date:	2014-11-05
Last modified:	2024-09-27
Release date:	2015-01-14
Identifier:	(5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid

JW1

JW1
Name:	{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid
Formula:	C11 H16 B N O4
SMILES:	c1ccc(B(O)O)cc1NC(=O)OC(C)(C)C
InChi:	InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
Definition date:	2016-09-28
Last modified:	2024-09-27
Release date:	2017-01-11
Identifier:	{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid

S1H

S1H
Name:	1-HEXADECANOSULFONYL-O-L-SERINE
Formula:	C19 H39 N O5 S
SMILES:	O=S(=O)(OCC(N)C(=O)O)CCCCCCCCCCCCCCCC
InChi:	InChI=1S/C19H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(23,24)25-17-18(20)19(21)22/h18H,2-17,20H2,1H3,(H,21,22)/t18-/m0/s1
Definition date:	2000-10-04
Last modified:	2024-09-27
Identifier:	O-(hexadecylsulfonyl)-L-serine

UGQ

UGQ
Name:	2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline
Formula:	C16 H17 N O2 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2
InChi:	InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)17-11-10-14-4-2-3-5-15(14)12-17/h2-9H,10-12H2,1H3
Definition date:	2021-02-17
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline

JW3

JW3
Name:	(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid
Formula:	C12 H12 B N O4
SMILES:	O=C(c1cc(B(O)O)ccc1)NCc2occc2
InChi:	InChI=1S/C12H12BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1-7,16-17H,8H2,(H,14,15)
Definition date:	2016-09-28
Last modified:	2024-09-27
Release date:	2017-01-11
Identifier:	(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid

UUU

UUU
Name:	(1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula:	C7 H15 N O5
SMILES:	C1(C(C(C(C(C1CO)N)O)O)O)O
InChi:	InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4-,5-,6-,7-/m0/s1
Definition date:	2016-04-13
Last modified:	2024-09-27
Release date:	2017-05-10
Identifier:	(1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

S1K

S1K
Name:	2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
Formula:	C16 H15 B O5
SMILES:	OB1O[CH](CC(O)=O)c2cc(OCc3ccccc3)ccc12
InChi:	InChI=1S/C16H15BO5/c18-16(19)9-15-13-8-12(6-7-14(13)17(20)22-15)21-10-11-4-2-1-3-5-11/h1-8,15,20H,9-10H2,(H,18,19)/t15-/m0/s1
Synonyms:	2-[(3S)-1-oxidanyl-5-phenylmethoxy-3H-2,1-benzoxaborol-3-yl]ethanoic acid
Definition date:	2020-11-05
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	2-[(3~{S})-1-oxidanyl-5-phenylmethoxy-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid

SGX

SGX
Name:	O-[(S)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE
Formula:	C4 H11 N2 O5 P
SMILES:	O=P(OC)(OCC(N)C(=O)O)N
InChi:	InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12-/m0/s1
Definition date:	2007-02-13
Last modified:	2024-09-27
Identifier:	O-[(S)-amino(methoxy)phosphoryl]-L-serine

SGZ

SGZ
Name:	2-naphthalen-1-ylethanal
Formula:	C12 H10 O
SMILES:	O=CCc1cccc2ccccc12
InChi:	InChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2
Definition date:	2020-11-16
Last modified:	2024-09-27
Release date:	2021-12-01
Identifier:	2-naphthalen-1-ylethanal

UUW

UUW
Name:	N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide
Formula:	C31 H46 N4 O3
SMILES:	CC(C)C[CH](NC(=O)CCCCN(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C31H46N4O3/c1-25(2)22-28(33-29(36)18-11-12-21-34(3)4)31(38)32-20-13-19-30(37)35(23-26-14-7-5-8-15-26)24-27-16-9-6-10-17-27/h5-10,14-17,25,28H,11-13,18-24H2,1-4H3,(H,32,38)(H,33,36)/t28-/m0/s1
Synonyms:	(2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide
Definition date:	2021-03-21
Last modified:	2024-09-27
Release date:	2021-09-08
Identifier:	(2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide

SV1

SV1
Name:	2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate
Formula:	C17 H17 N O3
SMILES:	O=C(OCCc1ccccc1)Cc2c(cc(N)cc2)C=O
InChi:	InChI=1S/C17H17NO3/c18-16-7-6-14(15(10-16)12-19)11-17(20)21-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,18H2
Definition date:	2012-12-04
Last modified:	2024-09-27
Release date:	2013-02-08
Identifier:	2-phenylethyl (4-amino-2-formylphenyl)acetate

XZK

XZK
Name:	N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide
Formula:	C14 H10 Cl N3 O4
SMILES:	O=C(Nc1ccc(cc1)C(N)=O)c1cc(ccc1Cl)[N+]([O-])=O
InChi:	InChI=1S/C14H10ClN3O4/c15-12-6-5-10(18(21)22)7-11(12)14(20)17-9-3-1-8(2-4-9)13(16)19/h1-7H,(H2,16,19)(H,17,20)
Definition date:	2022-12-15
Last modified:	2024-09-27
Release date:	2024-03-20
Identifier:	N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide

S1N

S1N
Name:	(~{E})-4-methylnon-4-enedial
Formula:	C10 H16 O2
SMILES:	CC(CCC=O)=CCCCC=O
InChi:	InChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+
Definition date:	2020-11-05
Last modified:	2024-09-27
Release date:	2020-11-18
Identifier:	(~{E})-4-methylnon-4-enedial

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