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9EP

9EP
Name:	(2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C16 H18 N2 O6 S2
SMILES:	O=CC(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)COC(=O)C
InChi:	InChI=1S/C16H18N2O6S2/c1-9(20)24-7-10-8-26-15(18-14(10)16(22)23)12(6-19)17-13(21)5-11-3-2-4-25-11/h2-4,6,12,15,18H,5,7-8H2,1H3,(H,17,21)(H,22,23)/t12-,15-/m1/s1
Synonyms:	Cephalotin, bound form
Definition date:	2010-06-28
Last modified:	2024-09-27
Identifier:	(2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

9ES

9ES
Name:	N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide
Formula:	C29 H36 Cl2 N8 O4
SMILES:	C1N(CCN(C1)c4ccc(Nc2ncnc(c2)N(C)C(Nc3c(c(OC)cc(c3Cl)OC)Cl)=O)c(NC(=O)CC)c4)CC
InChi:	InChI=1S/C29H36Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h8-9,14-17H,6-7,10-13H2,1-5H3,(H,35,40)(H,36,41)(H,32,33,34)
Definition date:	2017-05-01
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide

9EV

9EV
Name:	6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine
Formula:	C16 H24 N3 O9 P
SMILES:	C2(c1c(c(C)ncc1COP(=O)(O)O)O)N(CC(O2)=O)CCCCC(C(O)=O)N
InChi:	InChI=1S/C16H24N3O9P/c1-9-14(21)13(10(6-18-9)8-27-29(24,25)26)15-19(7-12(20)28-15)5-3-2-4-11(17)16(22)23/h6,11,15,21H,2-5,7-8,17H2,1H3,(H,22,23)(H2,24,25,26)/t11-,15+/m0/s1
Definition date:	2017-05-03
Last modified:	2024-09-27
Release date:	2017-05-17
Identifier:	6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine

9FB

9FB
Name:	(1~{S},2~{R})-2-azanylcyclopentane-1-carboxylic acid
Formula:	C6 H11 N O2
SMILES:	N[CH]1CCC[CH]1C(O)=O
InChi:	InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1
Definition date:	2017-05-16
Last modified:	2024-09-27
Release date:	2020-10-28
Identifier:	(1~{S},2~{R})-2-azanylcyclopentane-1-carboxylic acid

9FM

9FM
Name:	N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
Formula:	C20 H33 N5 O6 S
SMILES:	c1(ccc(c2nonc12)S(=O)(N(C)CC(=O)NCCOCCOCCCCCC)=O)NC
InChi:	InChI=1S/C20H33N5O6S/c1-4-5-6-7-11-29-13-14-30-12-10-22-18(26)15-25(3)32(27,28)17-9-8-16(21-2)19-20(17)24-31-23-19/h8-9,21H,4-7,10-15H2,1-3H3,(H,22,26)
Definition date:	2017-05-05
Last modified:	2024-09-27
Release date:	2017-06-14
Identifier:	N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide

9FZ

9FZ
Name:	(2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid
Formula:	C8 H14 N4 O2
SMILES:	Cc1cn(CCC[CH](N)C(O)=O)nn1
InChi:	InChI=1S/C8H14N4O2/c1-6-5-12(11-10-6)4-2-3-7(9)8(13)14/h5,7H,2-4,9H2,1H3,(H,13,14)/t7-/m0/s1
Definition date:	2017-05-17
Last modified:	2024-09-27
Release date:	2017-08-30
Identifier:	(2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid

9G2

9G2
Name:	(2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid
Formula:	C9 H16 N4 O2
SMILES:	CCc1cn(CCC[CH](N)C(O)=O)nn1
InChi:	InChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1
Definition date:	2017-05-17
Last modified:	2024-09-27
Release date:	2017-08-30
Identifier:	(2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid

9GE

9GE
Name:	(~{E})-13-methyltetradec-2-enoic acid
Formula:	C15 H28 O2
SMILES:	CC(C)CCCCCCCCCC=CC(O)=O
InChi:	InChI=1S/C15H28O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h11,13-14H,3-10,12H2,1-2H3,(H,16,17)/b13-11+
Definition date:	2017-05-18
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	(~{E})-13-methyltetradec-2-enoic acid

9GI

9GI
Name:	benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)
Formula:	C33 H51 N5 O7
SMILES:	CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NN(CC1CCNC1=O)C(=O)CC
InChi:	InChI=1S/C33H51N5O7/c1-6-27(39)38(20-25-17-18-34-29(25)40)37-30(41)26(19-23-13-9-7-10-14-23)35-31(42)28(22(2)45-33(3,4)5)36-32(43)44-21-24-15-11-8-12-16-24/h8,11-12,15-16,22-23,25-26,28H,6-7,9-10,13-14,17-21H2,1-5H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t22-,25+,26+,28+/m1/s1
Definition date:	2021-10-13
Last modified:	2024-09-27
Release date:	2023-04-12
Identifier:	benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)

9GU

9GU
Name:	(1H-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Formula:	C14 H14 F3 N5 O
SMILES:	C1N(CCN(C1)C(n2nncc2)=O)c3ccc(C(F)(F)F)cc3
InChi:	InChI=1S/C14H14F3N5O/c15-14(16,17)11-1-3-12(4-2-11)20-7-9-21(10-8-20)13(23)22-6-5-18-19-22/h1-6H,7-10H2
Definition date:	2018-04-20
Last modified:	2024-09-27
Release date:	2018-11-21
Identifier:	(1H-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone

9HA

9HA
Name:	benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
Formula:	C30 H47 N5 O7
SMILES:	CC(=O)N(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)CC1CCCCC1
InChi:	InChI=1S/C30H47N5O7/c1-20(42-30(3,4)5)26(33-29(40)41-19-23-14-10-7-11-15-23)28(39)32-24(18-22-12-8-6-9-13-22)27(38)34-35(21(2)36)17-16-25(31)37/h7,10-11,14-15,20,22,24,26H,6,8-9,12-13,16-19H2,1-5H3,(H2,31,37)(H,32,39)(H,33,40)(H,34,38)/t20-,24+,26+/m1/s1
Definition date:	2021-10-13
Last modified:	2024-09-27
Release date:	2023-04-12
Identifier:	benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)

9HB

9HB
Name:	Dimethyl fumarate
Formula:	C6 H10 O4
SMILES:	COC(=O)CCC(=O)OC
InChi:	InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
Definition date:	2017-05-19
Last modified:	2024-09-27
Release date:	2018-05-30
Identifier:	dimethyl butanedioate

9HC

9HC
Name:	[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate
Formula:	C16 H15 Br N O6 P
SMILES:	Cc1ncc(CO[P]([O-])([O-])=O)c(CCC(=O)c2ccc(Br)cc2)c1O
InChi:	InChI=1S/C16H17BrNO6P/c1-10-16(20)14(12(8-18-10)9-24-25(21,22)23)6-7-15(19)11-2-4-13(17)5-3-11/h2-5,8,20H,6-7,9H2,1H3,(H2,21,22,23)/p-2
Definition date:	2015-12-17
Last modified:	2024-09-27
Release date:	2016-03-02
Identifier:	[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate

AAC

AAC
Name:	ACETYLAMINO-ACETIC ACID
Formula:	C4 H7 N O3
SMILES:	O=C(NCC(=O)O)C
InChi:	InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
Definition date:	1999-07-16
Last modified:	2024-09-27
Identifier:	N-acetylglycine

AAE

AAE
Name:	ACETOACETIC ACID
Formula:	C4 H6 O3
SMILES:	O=C(C)CC(=O)O
InChi:	InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-oxobutanoic acid

AAF

AAF
Name:	METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
Formula:	C20 H29 N5 O4
SMILES:	O=C(NCC2NC(C(=O)N1C(CN)CCC1)CC2)Nc3ccc(C(=O)OC)cc3
InChi:	InChI=1S/C20H29N5O4/c1-29-19(27)13-4-6-14(7-5-13)24-20(28)22-12-15-8-9-17(23-15)18(26)25-10-2-3-16(25)11-21/h4-7,15-17,23H,2-3,8-12,21H2,1H3,(H2,22,24,28)/t15-,16+,17+/m1/s1
Definition date:	2006-03-13
Last modified:	2024-09-27
Identifier:	methyl 4-[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}carbamoyl)amino]benzoate

AAK

AAK
Name:	~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
Formula:	C16 H22 N2 O3
SMILES:	CCC(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc12
InChi:	InChI=1S/C16H22N2O3/c1-5-14(19)17-10-11-18(15(20)21-16(2,3)4)13-9-7-6-8-12(13)17/h6-9H,5,10-11H2,1-4H3
Definition date:	2017-08-18
Last modified:	2024-09-27
Release date:	2018-03-14
Identifier:	~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate

AAR

AAR
Name:	ARGININEAMIDE
Formula:	C6 H16 N5 O
SMILES:	O=C(N)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium

ABA

ABA
Name:	ALPHA-AMINOBUTYRIC ACID
Formula:	C4 H9 N O2
SMILES:	O=C(O)C(N)CC
InChi:	InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-aminobutanoic acid

ABB

ABB
Name:	(2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE
Formula:	C20 H26 N6 O4 S
SMILES:	O=C(N1CC(O)CC1C(=O)NC(C(=O)c2nc3ccccc3s2)CCCNC(=[N@H])N)C
InChi:	InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1
Definition date:	2002-12-17
Last modified:	2024-09-27
Identifier:	(4R)-1-acetyl-N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]-4-hydroxy-L-prolinamide

ABN

ABN
Name:	BENZYLAMINE
Formula:	C7 H9 N
SMILES:	NCc1ccccc1
InChi:	InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1-phenylmethanamine

ABU

ABU
Name:	GAMMA-AMINO-BUTANOIC ACID
Formula:	C4 H9 N O2
SMILES:	O=C(O)CCCN
InChi:	InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
Synonyms:	GAMMA(AMINO)-BUTYRIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-aminobutanoic acid

ABZ

ABZ
Name:	4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE
Formula:	C19 H14 Cl N7
SMILES:	N#Cc1ccc(cc1)Nc2nc(nc(n2)Cc3c(Cl)ccc4c3ccn4)N
InChi:	InChI=1S/C19H14ClN7/c20-15-5-6-16-13(7-8-23-16)14(15)9-17-25-18(22)27-19(26-17)24-12-3-1-11(10-21)2-4-12/h1-8,23H,9H2,(H3,22,24,25,26,27)
Definition date:	2001-12-07
Last modified:	2024-09-27
Identifier:	4-({4-amino-6-[(5-chloro-1H-indol-4-yl)methyl]-1,3,5-triazin-2-yl}amino)benzonitrile

AC0

AC0
Name:	1-PHENYLETHANONE
Formula:	C8 H8 O
SMILES:	O=C(c1ccccc1)C
InChi:	InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
Synonyms:	ACETOPHENONE
Definition date:	2005-05-10
Last modified:	2024-09-27
Identifier:	1-phenylethanone

AC5

AC5
Name:	1-AMINOCYCLOPENTANECARBOXYLIC ACID
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1(N)CCCC1
InChi:	InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
Synonyms:	CYCLO-LEUCINE
Definition date:	2004-11-22
Last modified:	2024-09-27
Identifier:	1-aminocyclopentanecarboxylic acid

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