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IIW

IIW
Name:	6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
Formula:	C24 H26 Br N7 O4
SMILES:	COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N
InChi:	InChI=1S/C24H26BrN7O4/c1-35-7-2-27-19-11-22(28-13-16(19)12-26)30-24(34)17-14-32(4-3-31-5-8-36-9-6-31)21-10-18(25)20(15-33)29-23(17)21/h10-11,13-15H,2-9H2,1H3,(H2,27,28,30,34)
Definition date:	2022-07-01
Last modified:	2024-09-27
Release date:	2022-11-16
Identifier:	6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide

IKJ

IKJ
Name:	(2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid
Formula:	C13 H21 B N O2 P
SMILES:	B[PH]1(CCCC1)c2ccc(C[CH](N)C(O)=O)cc2
InChi:	InChI=1S/C13H21BNO2P/c14-18(7-1-2-8-18)11-5-3-10(4-6-11)9-12(15)13(16)17/h3-6,12,18H,1-2,7-9,14-15H2,(H,16,17)/t12-/m0/s1
Synonyms:	P3F
Definition date:	2022-07-07
Last modified:	2024-09-27
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid

IL0

IL0
Name:	(2S,3S)-2-amino-3-methylpentane-1,1-diol
Formula:	C6 H15 N O2
SMILES:	OC(O)C(N)C(C)CC
InChi:	InChI=1S/C6H15NO2/c1-3-4(2)5(7)6(8)9/h4-6,8-9H,3,7H2,1-2H3/t4-,5-/m0/s1
Definition date:	2011-02-18
Last modified:	2024-09-27
Identifier:	(2S,3S)-2-amino-3-methylpentane-1,1-diol

IL7

IL7
Name:	4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide
Formula:	C34 H44 Cl N3 O3 Si
SMILES:	CN=C1C=CC2=C(c3ccc(cc3C)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1
InChi:	InChI=1S/C34H44ClN3O3Si/c1-24-21-25(34(39)38-16-18-41-20-19-40-17-8-6-5-7-15-35)9-12-28(24)33-29-13-10-26(36)22-31(29)42(3,4)32-23-27(37-2)11-14-30(32)33/h9-14,21-23H,5-8,15-20,36H2,1-4H3,(H,38,39)/b37-27+
Synonyms:	HaloTag with Me-TRaQ-G ligand
Definition date:	2022-03-31
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide

ILI

ILI
Name:	N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE
Formula:	C27 H32 N4 O6 S
SMILES:	O=S(=O)(c1ncccc1)N4C(C=CC(NC(=O)C(NC(=O)c3oc2ccccc2c3)CC(C)C)C(O)C4)C
InChi:	InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-13,15,17-18,20-22,32H,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+,22+/m1/s1
Definition date:	2006-02-14
Last modified:	2024-09-27
Identifier:	N-[(1S)-1-{[(3S,4S,7R)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1H-azepin-4-yl]carbamoyl}-3-methylbutyl]-1-benzofuran-2-carboxamide

ILJ

ILJ
Name:	(E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium
Formula:	C34 H43 Cl N3 O5 Si
SMILES:	C[NH+]=C1C=CC2=C(c3cc(ccc3C(O)=O)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1
InChi:	InChI=1S/C34H42ClN3O5Si/c1-37-25-10-13-28-31(22-25)44(2,3)30-21-24(36)9-12-27(30)32(28)29-20-23(8-11-26(29)34(40)41)33(39)38-15-17-43-19-18-42-16-7-5-4-6-14-35/h8-13,20-22H,4-7,14-19,36H2,1-3H3,(H,38,39)(H,40,41)/p+1/b37-25+
Synonyms:	HaloTag with TRaQ-G-ctrl ligand
Definition date:	2022-03-31
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	(~{E})-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium

ILM

ILM
Name:	methyl L-isoleucinate
Formula:	C7 H15 N O2
SMILES:	O=C(OC)C(N)C(CC)C
InChi:	InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1
Definition date:	2013-07-30
Last modified:	2024-09-27
Release date:	2014-05-07
Identifier:	methyl L-isoleucinate

ILQ

ILQ
Name:	(10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide
Formula:	C35 H42 Cl N5 O4 Si
SMILES:	CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl
InChi:	InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)35(29)30-20-24(8-11-27(30)34(43)41(35)23-37)33(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22,39H,4-7,14-19,38H2,1-3H3,(H,40,42)/t35-/m1/s1
Definition date:	2022-04-06
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	(10~{R})-7-azanyl-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide

ILU

ILU
Name:	[7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium
Formula:	C35 H43 Cl N5 O4 Si
SMILES:	C[NH+]=C1C=CC2=C(c3ccc(N)cc3[Si](C)(C)C2=C1)c4cc(ccc4C(=O)NC#N)C(=O)NCCOCCOCCCCCCCl
InChi:	InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)33(29)30-20-24(8-11-27(30)35(43)41-23-37)34(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22H,4-7,14-19,38H2,1-3H3,(H,40,42)(H,41,43)/p+1/b39-26+
Definition date:	2022-04-06
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	[7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium

ILX

ILX
Name:	4,5-DIHYDROXYISOLEUCINE
Formula:	C6 H13 N O4
SMILES:	O=C(O)C(N)C(C)C(O)CO
InChi:	InChI=1S/C6H13NO4/c1-3(4(9)2-8)5(7)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1
Definition date:	2001-10-29
Last modified:	2024-09-27
Identifier:	(2S,3R,4R)-2-amino-4,5-dihydroxy-3-methylpentanoic acid (non-preferred name)

ILY

ILY
Name:	N~6~-propan-2-yl-L-lysine
Formula:	C9 H20 N2 O2
SMILES:	O=C(O)C(N)CCCCNC(C)C
InChi:	InChI=1S/C9H20N2O2/c1-7(2)11-6-4-3-5-8(10)9(12)13/h7-8,11H,3-6,10H2,1-2H3,(H,12,13)/t8-/m0/s1
Definition date:	2012-12-12
Last modified:	2024-09-27
Release date:	2013-02-15
Identifier:	N~6~-propan-2-yl-L-lysine

IM2

IM2
Name:	(5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
Formula:	C12 H19 N3 O4 S
SMILES:	O=C(O)C1=C(SCCNC=[N@H])CC(N1)C(C=O)C(O)C
InChi:	InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-9,15,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-/m1/s1
Synonyms:	IMIPENEM, open form
Definition date:	1999-07-13
Last modified:	2024-09-27
Identifier:	(5R)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid

IMD

IMD
Name:	IMIDAZOLE
Formula:	C3 H5 N2
SMILES:	c1c[nH+]cn1
InChi:	InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1H-imidazol-3-ium

IML

IML
Name:	N-METHYL-ISOLEUCINE
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(NC)C(CC)C
InChi:	InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-methyl-L-isoleucine

IMP

IMP
Name:	INOSINIC ACID
Formula:	C10 H13 N4 O8 P
SMILES:	O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:	InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5'-inosinic acid

IN2

IN2
Name:	N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSINE
Formula:	C8 H18 N4 O3
SMILES:	O=C(NN(C(=O)O)CCCCN)N(C)C
InChi:	InChI=1S/C8H18N4O3/c1-11(2)7(13)10-12(8(14)15)6-4-3-5-9/h3-6,9H2,1-2H3,(H,10,13)(H,14,15)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1-(4-aminobutyl)-2-(dimethylcarbamoyl)hydrazinecarboxylic acid

IN3

IN3
Name:	1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE
Formula:	C29 H33 N5 O6
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NNC(=O)NNC(=O)c3cc(OCc2ccccc2)ccc3)CC(C)C
InChi:	InChI=1S/C29H33N5O6/c1-20(2)16-25(30-29(38)40-19-22-12-7-4-8-13-22)27(36)32-34-28(37)33-31-26(35)23-14-9-15-24(17-23)39-18-21-10-5-3-6-11-21/h3-15,17,20,25H,16,18-19H2,1-2H3,(H,30,38)(H,31,35)(H,32,36)(H2,33,34,37)/t25-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	benzyl [(1S)-1-({2-[(2-{[3-(benzyloxy)phenyl]carbonyl}hydrazino)carbonyl]hydrazino}carbonyl)-3-methylbutyl]carbamate (non-preferred name)

IN6

IN6
Name:	N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE
Formula:	C31 H39 N5 O6 S
SMILES:	O=C(OCc1ccccc1)NC(c2nc(cs2)C(=O)NNC(=O)C(NC(=O)OCc3ccccc3)CC(C)C)CC(C)C
InChi:	InChI=1S/C31H39N5O6S/c1-20(2)15-24(33-30(39)41-17-22-11-7-5-8-12-22)27(37)35-36-28(38)26-19-43-29(32-26)25(16-21(3)4)34-31(40)42-18-23-13-9-6-10-14-23/h5-14,19-21,24-25H,15-18H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t24-,25-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	benzyl [(1S)-1-{[2-({2-[(1S)-1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl]-1,3-thiazol-4-yl}carbonyl)hydrazino]carbonyl}-3-methylbutyl]carbamate (non-preferred name)

INA

INA
Name:	1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE
Formula:	C29 H40 N6 O7
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NNC(=O)NNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C
InChi:	InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	benzyl [(1S,9S)-1,9-bis(2-methylpropyl)-2,5,8,11-tetraoxo-13-phenyl-12-oxa-3,4,6,7,10-pentaazatridec-1-yl]carbamate (non-preferred name)

INC

INC
Name:	2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER
Formula:	C9 H17 N O4
SMILES:	O=C(N(O)C(C(=O)OC)CC(C)C)C
InChi:	InChI=1S/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	methyl N-acetyl-N-hydroxy-D-leucinate

ING

ING
Name:	D-[(AMINO)CARBONYL]PHENYLALANINE
Formula:	C10 H12 N2 O3
SMILES:	O=C(O)C(NC(=O)N)Cc1ccccc1
InChi:	InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1
Definition date:	2000-11-21
Last modified:	2024-09-27
Identifier:	N-carbamoyl-L-phenylalanine

INK

INK
Name:	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE
Formula:	C11 H16 Cl O3 P
SMILES:	ClP(=O)(OC(COc1ccccc1)CC)C
InChi:	InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16-/m1/s1
Definition date:	2001-01-03
Last modified:	2024-09-27
Identifier:	(1R)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate

INP

INP
Name:	4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
Formula:	C31 H43 N5 O6
SMILES:	O=C(OCc1ccncc1)NC(C(=O)NC3C(=O)CN(CC(NC(=O)OCc2ccccc2)CC(C)C)C3)CC(C)C
InChi:	InChI=1S/C31H43N5O6/c1-21(2)14-25(33-30(39)41-19-23-8-6-5-7-9-23)16-36-17-27(28(37)18-36)34-29(38)26(15-22(3)4)35-31(40)42-20-24-10-12-32-13-11-24/h5-13,21-22,25-27H,14-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26-,27+/m0/s1
Synonyms:	PYRROLIDINONE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-{(3R)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxopyrrolidin-3-yl}-N~2~-[(pyridin-4-ylmethoxy)carbonyl]-L-leucinamide

INS

INS
Name:	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
Synonyms:	MYO-INOSITOL
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol

IO8

IO8
Name:	2-[2-(aminomethyl)-4-(1H-indol-3-ylmethyl)-5-oxidanylidene-4H-imidazol-1-yl]ethanoic acid
Formula:	C15 H14 N4 O3
SMILES:	NCC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O
InChi:	InChI=1S/C15H14N4O3/c16-6-13-18-12(15(22)19(13)8-14(20)21)5-9-7-17-11-4-2-1-3-10(9)11/h1-5,7,17H,6,8,16H2,(H,20,21)/b12-5-
Synonyms:	CHROMOPHORE (GLY-TRP-GLY)
Definition date:	2022-04-01
Last modified:	2024-09-27
Release date:	2022-05-04
Identifier:	2-[(4~{Z})-2-(aminomethyl)-4-(1~{H}-indol-3-ylmethylidene)-5-oxidanylidene-imidazol-1-yl]ethanoic acid

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