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ACA

ACA
Name:	6-AMINOHEXANOIC ACID
Formula:	C6 H13 N O2
SMILES:	O=C(O)CCCCCN
InChi:	InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
Synonyms:	AMINOCAPROIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	6-aminohexanoic acid

ACB

ACB
Name:	3-METHYL-BETA-D-ASPARTIC ACID
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(N)C(C(=O)O)C
InChi:	InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1
Synonyms:	(3S)-3-methyl-D-aspartic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S)-3-methyl-D-aspartic acid

ACD

ACD
Name:	ARACHIDONIC ACID
Formula:	C20 H32 O2
SMILES:	O=C(O)CCCC=C/CC=C/CC=C/CC=C/CCCCC
InChi:	InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid

ACF

ACF
Name:	3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID
Formula:	C18 H24 Cl N3 O4
SMILES:	O=C(O)c3cc(OCC2NC(C(=O)N1C(CN)CCC1)CC2)c(Cl)cc3
InChi:	InChI=1S/C18H24ClN3O4/c19-14-5-3-11(18(24)25)8-16(14)26-10-12-4-6-15(21-12)17(23)22-7-1-2-13(22)9-20/h3,5,8,12-13,15,21H,1-2,4,6-7,9-10,20H2,(H,24,25)/t12-,13+,15+/m1/s1
Definition date:	2006-03-09
Last modified:	2024-09-27
Identifier:	3-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid

ACH

ACH
Name:	ACETYLCHOLINE
Formula:	C7 H16 N O2
SMILES:	O=C(OCC[N+](C)(C)C)C
InChi:	InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-(acetyloxy)-N,N,N-trimethylethanaminium

ACM

ACM
Name:	ACETAMIDE
Formula:	C2 H5 N O
SMILES:	O=C(N)C
InChi:	InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	acetamide

ACN

ACN
Name:	ACETONE
Formula:	C3 H6 O
SMILES:	O=C(C)C
InChi:	InChI=1S/C3H6O/c1-3(2)4/h1-2H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	propan-2-one

ACT

ACT
Name:	ACETATE ION
Formula:	C2 H3 O2
SMILES:	[O-]C(=O)C
InChi:	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	acetate

ACY

ACY
Name:	ACETIC ACID
Formula:	C2 H4 O2
SMILES:	O=C(O)C
InChi:	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	acetic acid

ADF

ADF
Name:	4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID
Formula:	C22 H33 N3 O4
SMILES:	O=C(O)c3ccc(OCC2NC(C(=O)N1C(CN)CCC1)CC2)c(c3)C(C)(C)C
InChi:	InChI=1S/C22H33N3O4/c1-22(2,3)17-11-14(21(27)28)6-9-19(17)29-13-15-7-8-18(24-15)20(26)25-10-4-5-16(25)12-23/h6,9,11,15-16,18,24H,4-5,7-8,10,12-13,23H2,1-3H3,(H,27,28)/t15-,16+,18+/m1/s1
Definition date:	2006-03-08
Last modified:	2024-09-27
Identifier:	4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid

ADM

ADM
Name:	ADAMANTANE
Formula:	C10 H16
SMILES:	C1C2CC3CC1CC(C2)C3
InChi:	InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	tricyclo[3.3.1.1~3,7~]decane

ADT

ADT
Name:	3'-DEOXY-3'-ACETAMIDO-THYMIDINE
Formula:	C12 H17 N3 O5
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(NC(=O)C)C2)CO
InChi:	InChI=1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19)/t8-,9+,10+/m0/s1
Synonyms:	((((3'-DEOXY-3'-THYMIDINYL)-AMINO)CARBONYL)METHYL)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3'-(acetylamino)-3'-deoxythymidine

AEA

AEA
Name:	(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETIC ACID
Formula:	C5 H10 N2 O3 S
SMILES:	NC(CSCC(=O)O)C(N)=O
InChi:	InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1
Definition date:	1999-08-25
Last modified:	2024-09-27
Identifier:	{[(2S)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid

AEI

AEI
Name:	THREONINE-ASPARTIC ESTER
Formula:	C8 H14 N2 O6
SMILES:	NC(C(=O)O)C(C)OC(=O)CC(N)C(=O)O
InChi:	InChI=1S/C8H14N2O6/c1-3(6(10)8(14)15)16-5(11)2-4(9)7(12)13/h3-4,6H,2,9-10H2,1H3,(H,12,13)(H,14,15)/t3-,4+,6+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-{[(1S,2R)-1-amino-1-carboxypropan-2-yl]oxy}-4-oxobutanoic acid (non-preferred name)

AEM

AEM
Name:	2-AMINOETHANIMIDIC ACID
Formula:	C2 H6 N2
SMILES:	[N@H]=CCN
InChi:	InChI=1S/C2H6N2/c3-1-2-4/h1,3H,2,4H2/b3-1+
Definition date:	2001-09-25
Last modified:	2024-09-27
Identifier:	(2E)-2-iminoethanamine

AEN

AEN
Name:	5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE
Formula:	C14 H16 N2 O4 S
SMILES:	O=S(=O)(O)c1cccc2c1cccc2NCCNC(=O)C
InChi:	InChI=1S/C14H16N2O4S/c1-10(17)15-8-9-16-13-6-2-5-12-11(13)4-3-7-14(12)21(18,19)20/h2-7,16H,8-9H2,1H3,(H,15,17)(H,18,19,20)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5-{[2-(acetylamino)ethyl]amino}naphthalene-1-sulfonic acid

AEQ

AEQ
Name:	methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate
Formula:	C14 H17 N O3
SMILES:	CCC(=O)N1CCCc2cc(ccc12)C(=O)OC
InChi:	InChI=1S/C14H17NO3/c1-3-13(16)15-8-4-5-10-9-11(14(17)18-2)6-7-12(10)15/h6-7,9H,3-5,8H2,1-2H3
Definition date:	2017-08-18
Last modified:	2024-09-27
Release date:	2018-03-14
Identifier:	methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate

AES

AES
Name:	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE
Formula:	C8 H10 F N O2 S
SMILES:	O=S(F)(=O)c1ccc(cc1)CCN
InChi:	InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
Synonyms:	AEBSF
Definition date:	2005-09-27
Last modified:	2024-09-27
Identifier:	4-(2-aminoethyl)benzenesulfonyl fluoride

AFC

AFC
Name:	(3R,12R)-3-amino-12-methyltetradecanoic acid
Formula:	C15 H31 N O2
SMILES:	O=C(O)CC(N)CCCCCCCCC(C)CC
InChi:	InChI=1S/C15H31NO2/c1-3-13(2)10-8-6-4-5-7-9-11-14(16)12-15(17)18/h13-14H,3-12,16H2,1-2H3,(H,17,18)/t13-,14-/m1/s1
Definition date:	2006-09-27
Last modified:	2024-09-27
Identifier:	(3R,12R)-3-amino-12-methyltetradecanoic acid

AG2

AG2
Name:	AGMATINE
Formula:	C5 H14 N4
SMILES:	[N@H]=C(N)NCCCCN
InChi:	InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
Synonyms:	(4-AMINOBUTYL)GUANIDINE
Definition date:	2002-10-04
Last modified:	2024-09-27
Identifier:	1-(4-aminobutyl)guanidine

AG6

AG6
Name:	N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide
Formula:	C35 H39 N3 O7
SMILES:	CCC[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CCC(O)=O)NC(=O)OCc2ccccc2)C=CC(=O)c3ccccc3
InChi:	InChI=1S/C35H39N3O7/c1-2-12-28(19-21-31(39)27-17-10-5-11-18-27)36-34(43)30(23-25-13-6-3-7-14-25)37-33(42)29(20-22-32(40)41)38-35(44)45-24-26-15-8-4-9-16-26/h3-11,13-19,21,28-30H,2,12,20,22-24H2,1H3,(H,36,43)(H,37,42)(H,38,44)(H,40,41)/t28-,29-,30-/m0/s1
Definition date:	2009-02-23
Last modified:	2024-09-27
Identifier:	(4S)-5-oxo-5-[[(2S)-1-oxo-1-[[(4S)-1-oxo-1-phenyl-hept-2-en-4-yl]amino]-3-phenyl-propan-2-yl]amino]-4-(phenylmethoxycarbonylamino)pentanoic acid

AG7

AG7
Name:	4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Formula:	C31 H41 F N4 O7
SMILES:	O=C(NC(C(=O)CC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)Cc2ccc(F)cc2)C(C)C)c3noc(c3)C
InChi:	InChI=1S/C31H41FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-9,14,18,21-22,24,28H,5,10-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22+,24+,28-/m0/s1
Synonyms:	RUPINTRIVIR, bound form
Definition date:	1999-08-20
Last modified:	2024-09-27
Identifier:	ethyl (4R)-4-{[(2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

AGD

AGD
Name:	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine
Formula:	C8 H10 N6 O3
SMILES:	O=C(O)C(N)Cn1c2N=C(NC(=O)c2nc1)N
InChi:	InChI=1S/C8H10N6O3/c9-3(7(16)17)1-14-2-11-4-5(14)12-8(10)13-6(4)15/h2-3H,1,9H2,(H,16,17)(H3,10,12,13,15)/t3-/m1/s1
Definition date:	2008-02-12
Last modified:	2024-09-27
Identifier:	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine

AGM

AGM
Name:	5-METHYL-ARGININE
Formula:	C7 H17 N4 O2
SMILES:	O=C(O)C(N)CCC(NC(=[NH2+])N)C
InChi:	InChI=1S/C7H16N4O2/c1-4(11-7(9)10)2-3-5(8)6(12)13/h4-5H,2-3,8H2,1H3,(H,12,13)(H4,9,10,11)/p+1/t4-,5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	amino{[(1S,4S)-4-amino-4-carboxy-1-methylbutyl]amino}methaniminium

AGQ

AGQ
Name:	3-[(3E)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
Formula:	C10 H13 N5 O4
SMILES:	O=C1C=C(O)/C(=N/NC(=[N@H])N)C=C1CC(C(=O)O)N
InChi:	InChI=1S/C10H13N5O4/c11-5(9(18)19)1-4-2-6(14-15-10(12)13)8(17)3-7(4)16/h2-3,5,17H,1,11H2,(H,18,19)(H4,12,13,15)/b14-6+/t5-/m0/s1
Definition date:	2010-05-17
Last modified:	2024-09-27
Identifier:	3-[(3E)-3-(2-carbamimidoylhydrazinylidene)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

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