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NXU

NXU
Name:	(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C19 H22 N2 O5 S
SMILES:	O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3c2ccccc2ccc3O
InChi:	InChI=1S/C19H22N2O5S/c1-19(2)15(18(25)26)21-17(27-19)12(9-22)20-16(24)14-11-6-4-3-5-10(11)7-8-13(14)23/h3-8,12,15,17,21-23H,9H2,1-2H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2014-09-24
Identifier:	(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

NY0

NY0
Name:	1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
Formula:	C11 H12 N2 O2
SMILES:	CCC(=O)N1CC(=Nc2ccccc12)O
InChi:	InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)
Synonyms:	4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)
Definition date:	2022-08-24
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one

A30

A30
Name:	O-ethyl-L-tyrosine
Formula:	C11 H15 N O3
SMILES:	CCOc1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C11H15NO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:	2021-11-04
Last modified:	2024-09-27
Release date:	2022-06-01
Identifier:	O-ethyl-L-tyrosine

NYG

NYG
Name:	[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C15 H16 N4 O5
SMILES:	O=C(N)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:	InChI=1S/C15H16N4O5/c16-10(6-12(17)21)14-18-11(15(24)19(14)7-13(22)23)5-8-1-3-9(20)4-2-8/h1-5,10,20H,6-7,16H2,(H2,17,21)(H,22,23)/b11-5-/t10-/m0/s1
Synonyms:	CHROMOPHORE (ASN-TYR-GLY)
Definition date:	2007-01-19
Last modified:	2024-09-27
Identifier:	{(4Z)-2-[(1S)-1,3-diamino-3-oxopropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

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

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

1KA

1KA
Name:	(2-hydroxyethoxy)acetaldehyde
Formula:	C4 H8 O3
SMILES:	O=CCOCCO
InChi:	InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2
Definition date:	2012-12-25
Last modified:	2024-09-27
Release date:	2013-02-15
Identifier:	(2-hydroxyethoxy)acetaldehyde

1KC

1KC
Name:	(3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid
Formula:	C8 H14 O3 S
SMILES:	CSCCC=C[CH](O)CC(O)=O
InChi:	InChI=1S/C8H14O3S/c1-12-5-3-2-4-7(9)6-8(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,10,11)/b4-2-/t7-/m1/s1
Definition date:	2013-03-04
Last modified:	2024-09-27
Release date:	2014-03-05
Identifier:	(3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid

NYX

NYX
Name:	2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
Formula:	C10 H10 Cl N3 O
SMILES:	ClCC(=O)NCc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide

NZ6

NZ6
Name:	1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
Formula:	C27 H28 Cl N5 O
SMILES:	CCC(=O)N1CC2(CC(C2)n3nc(c4ccccc4)c(c3C)c5c(Cl)c(C)cc6[nH]ncc56)C1
InChi:	InChI=1S/C27H28ClN5O/c1-4-22(34)32-14-27(15-32)11-19(12-27)33-17(3)23(26(31-33)18-8-6-5-7-9-18)24-20-13-29-30-21(20)10-16(2)25(24)28/h5-10,13,19H,4,11-12,14-15H2,1-3H3,(H,29,30)
Synonyms:	[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one

1KR

1KR
Name:	benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate
Formula:	C32 H43 N3 O6
SMILES:	O=C(NC3CC3CC(NC(=O)C(NC(=O)OCc1ccccc1)C)CCc2ccccc2)C(O)C(C=O)C(C)CC
InChi:	InChI=1S/C32H43N3O6/c1-4-21(2)27(19-36)29(37)31(39)35-28-18-25(28)17-26(16-15-23-11-7-5-8-12-23)34-30(38)22(3)33-32(40)41-20-24-13-9-6-10-14-24/h5-14,19,21-22,25-29,37H,4,15-18,20H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)/t21-,22-,25+,26+,27-,28-,29+/m0/s1
Definition date:	2013-03-12
Last modified:	2024-09-27
Release date:	2013-04-17
Identifier:	benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate

NZM

NZM
Name:	cefixime, bound form
Formula:	C16 H17 N5 O7 S2
SMILES:	OC(=O)CON=C(/C(=O)NC(C=O)C1SCC(=C(N1)C(O)=O)[C@H]=C)c2csc(N)n2
InChi:	InChI=1S/C16H17N5O7S2/c1-2-7-5-29-14(20-11(7)15(26)27)8(3-22)18-13(25)12(21-28-4-10(23)24)9-6-30-16(17)19-9/h2-3,6,8,14,20H,1,4-5H2,(H2,17,19)(H,18,25)(H,23,24)(H,26,27)/b21-12-/t8-,14-/m1/s1
Definition date:	2019-05-30
Last modified:	2024-09-27
Release date:	2019-08-07
Identifier:	(2R)-2-[(1R)-1-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-2-oxoethyl]-5-ethenyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

NZV

NZV
Name:	ceftriaxone, bound form
Formula:	C18 H20 N8 O8 S3
SMILES:	O=C(/C(c1csc(N)n1)=NOC)NC(C(O)=O)C2SCC(=C(N2)C(O)=O)CSC=3N(NC(C(N=3)=O)=O)C
InChi:	InChI=1S/C18H20N8O8S3/c1-26-18(23-12(28)13(29)24-26)37-4-6-3-35-14(22-8(6)15(30)31)10(16(32)33)21-11(27)9(25-34-2)7-5-36-17(19)20-7/h5,10,14,22H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,24,29)(H,30,31)(H,32,33)/b25-9-/t10-,14+/m0/s1
Definition date:	2019-05-30
Last modified:	2024-09-27
Release date:	2019-08-07
Identifier:	(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

NZX

NZX
Name:	1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
Formula:	C27 H35 N5 O
SMILES:	CCC(=O)N1CC2(CC(C2)n3nc(C4CCCCC4)c(c3C)c5c(C)ccc6[nH]ncc56)C1
InChi:	InChI=1S/C27H35N5O/c1-4-23(33)31-15-27(16-31)12-20(13-27)32-18(3)25(26(30-32)19-8-6-5-7-9-19)24-17(2)10-11-22-21(24)14-28-29-22/h10-11,14,19-20H,4-9,12-13,15-16H2,1-3H3,(H,28,29)
Synonyms:	1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one

1LB

1LB
Name:	(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide
Formula:	C11 H10 N4 O
SMILES:	N#CC(C(=O)N)Cc1cc2c(cc1)nnc2
InChi:	InChI=1S/C11H10N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-2,4,6,8H,3H2,(H2,13,16)(H,14,15)/t8-/m0/s1
Definition date:	2013-03-18
Last modified:	2024-09-27
Release date:	2013-04-10
Identifier:	(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide

1LC

1LC
Name:	(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide
Formula:	C18 H14 N4 O2
SMILES:	N#CC(C(=O)N)Cc1cccc(c1)C(=O)c3c2cccnc2nc3
InChi:	InChI=1S/C18H14N4O2/c19-9-13(17(20)24)8-11-3-1-4-12(7-11)16(23)15-10-22-18-14(15)5-2-6-21-18/h1-7,10,13H,8H2,(H2,20,24)(H,21,22)/t13-/m1/s1
Definition date:	2013-03-18
Last modified:	2024-09-27
Release date:	2013-04-10
Identifier:	(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide

O0B

O0B
Name:	(2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal
Formula:	C6 H10 F3 N O2
SMILES:	C[CH](CC(F)(F)F)[CH](N)C(O)=O
InChi:	InChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4-/m0/s1
Definition date:	2020-01-13
Last modified:	2024-09-27
Release date:	2021-01-27
Identifier:	(2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanoic acid

O0O

O0O
Name:	2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C20 H28 Cl2 N4 O2
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3
InChi:	InChI=1S/C20H28Cl2N4O2/c21-13-18(27)24-14-15-5-11-26(12-6-15)19(28)20(7-9-23-10-8-20)25-17-3-1-16(22)2-4-17/h1-4,15,23,25H,5-14H2,(H,24,27)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide

O10

O10
Name:	(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
Formula:	C10 H5 Br Cl N5
SMILES:	Brc1cnc(Cl)nc1n1ccc2ncncc21
InChi:	InChI=1S/C10H5BrClN5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
Definition date:	2022-04-15
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine

1MH

1MH
Name:	3-pyridin-3-yl-L-alanine
Formula:	C8 H10 N2 O2
SMILES:	O=C(O)C(N)Cc1cccnc1
InChi:	InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
Definition date:	2013-03-28
Last modified:	2024-09-27
Release date:	2013-06-12
Identifier:	3-pyridin-3-yl-L-alanine

O1K

O1K
Name:	(5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
Formula:	C10 H5 Cl2 N5
SMILES:	Clc1cnc(Cl)nc1n1ccc2ncncc21
InChi:	InChI=1S/C10H5Cl2N5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
Definition date:	2022-04-15
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	(5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine

1N0

1N0
Name:	1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione
Formula:	C14 H20 N2 O4
SMILES:	O=C1N(C(=O)CC1)CCCCCCN2C(=O)CCC2=O
InChi:	InChI=1S/C14H20N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h1-10H2
Synonyms:	bis(maleimido)hexane, bound form
Definition date:	2013-04-02
Last modified:	2024-09-27
Release date:	2013-06-19
Identifier:	1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione

O1R

O1R
Name:	(2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile
Formula:	C12 H6 Cl N5
SMILES:	N#Cc1ccc(Cl)nc1n1ccc2ncncc21
InChi:	InChI=1S/C12H6ClN5/c13-11-2-1-8(5-14)12(17-11)18-4-3-9-10(18)6-15-7-16-9/h1-4,6-7H
Definition date:	2022-04-15
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	(2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile

1N2

1N2
Name:	1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione
Formula:	C10 H12 N2 O4
SMILES:	O=C1CCC(N1CCN2C(=O)CCC2=O)=O
InChi:	InChI=1S/C10H12N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-6H2
Definition date:	2015-08-06
Last modified:	2024-09-27
Release date:	2016-02-03
Identifier:	1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione

O1Y

O1Y
Name:	N-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1H-pyrazol-4-yl}prop-2-enamide
Formula:	C22 H24 Cl2 N8 O5
SMILES:	c3(c(c(NC(N(c2cc(Nc1c(NC(/C=C)=O)cn(CCO)n1)ncn2)C)=O)c(Cl)c(c3)OC)Cl)OC
InChi:	InChI=1S/C22H24Cl2N8O5/c1-5-17(34)27-12-10-32(6-7-33)30-21(12)28-15-9-16(26-11-25-15)31(2)22(35)29-20-18(23)13(36-3)8-14(37-4)19(20)24/h5,8-11,33H,1,6-7H2,2-4H3,(H,27,34)(H,29,35)(H,25,26,28,30)
Definition date:	2019-06-04
Last modified:	2024-09-27
Release date:	2019-06-19
Identifier:	N-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1H-pyrazol-4-yl}prop-2-enamide

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