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IAM

IAM
Name:	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE
Formula:	C13 H20 N2 O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CNC(C)C
InChi:	InChI=1S/C13H20N2O2/c1-9(2)15-8-11-5-3-10(4-6-11)7-12(14)13(16)17/h3-6,9,12,15H,7-8,14H2,1-2H3,(H,16,17)/t12-/m0/s1
Definition date:	2004-11-19
Last modified:	2024-09-27
Identifier:	4-{[(1-methylethyl)amino]methyl}-L-phenylalanine

IAR

IAR
Name:	(2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid
Formula:	C6 H12 N4 O2
SMILES:	O=C(O)C(=[N@H])CCCNC(=[N@H])N
InChi:	InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)/b7-4+
Definition date:	2010-07-20
Last modified:	2024-09-27
Identifier:	(2E)-5-carbamimidamido-2-iminopentanoic acid

ICY

ICY
Name:	S-(2-iodobenzyl)-L-cysteine
Formula:	C10 H12 I N O2 S
SMILES:	Ic1ccccc1CSCC(C(=O)O)N
InChi:	InChI=1S/C10H12INO2S/c11-8-4-2-1-3-7(8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2011-02-16
Last modified:	2024-09-27
Identifier:	S-(2-iodobenzyl)-L-cysteine

5PL

5PL
Name:	(1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE
Formula:	C67 H129 N2 O15 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)(O)OC(C(=O)NCCCCCCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1NC(=O)C)CO)CCCCCCCCCCCCCC(C)C
InChi:	InChI=1S/C67H129N2O15P/c1-7-8-9-10-11-12-13-14-15-16-17-18-25-30-35-40-45-50-68-66(76)60(54-80-67-63(69-57(6)71)65(75)64(74)59(51-70)83-67)84-85(77,78)81-53-58(82-62(73)49-44-39-34-29-24-20-22-27-32-37-42-47-56(4)5)52-79-61(72)48-43-38-33-28-23-19-21-26-31-36-41-46-55(2)3/h55-56,58-60,63-65,67,70,74-75H,7-54H2,1-6H3,(H,68,76)(H,69,71)(H,77,78)/t58-,59-,60-,63-,64-,65-,67+/m1/s1
Definition date:	2011-03-31
Last modified:	2024-09-27
Identifier:	(1R,4S,6R)-6-({[2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}methyl)-4-hydroxy-1-{[(15-methylhexadecanoyl)oxy]methyl}-4-oxido-7-oxo-3,5-dioxa-8-aza-4-phosphaheptacos-1-yl 15-methylhexadecanoate

IF6

IF6
Name:	(1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-
Formula:	C15 H29 N4 O6
SMILES:	O[CH]1[CH](O)[CH](O)[CH]([CH](NCCCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O
InChi:	InChI=1S/C15H28N4O6.H2/c16-19-18-8-6-4-2-1-3-5-7-17-10-9(15(24)25)11(20)13(22)14(23)12(10)21
Definition date:	2016-03-22
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	(1S,2R,3S,4S,5S,6R)-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; hydrogen

IGL

IGL
Name:	ALPHA-AMINO-2-INDANACETIC ACID
Formula:	C11 H13 N O2
SMILES:	O=C(O)C(N)C2Cc1ccccc1C2
InChi:	InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-amino(2,3-dihydro-1H-inden-2-yl)ethanoic acid

K7I

K7I
Name:	L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
Formula:	C16 H25 N3 O3
SMILES:	O=C(NC(C(=O)NC(Cc1ccccc1)C(O)C)C)C(N)C
InChi:	InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1
Synonyms:	ALA-ALA-PHE-CHLOROMETHYL KETONE
Definition date:	2007-11-12
Last modified:	2024-09-27
Identifier:	L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide

K7J

K7J
Name:	N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide
Formula:	C25 H35 Cl N4 O7
SMILES:	O=C(NC(Cc1ccccc1)C(O)CCl)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC2
InChi:	InChI=1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1
Synonyms:	SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE
Definition date:	2007-11-12
Last modified:	2024-09-27
Identifier:	N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide

KBE

KBE
Name:	beta-lysine
Formula:	C6 H14 N2 O2
SMILES:	NCCC[CH](N)CC(O)=O
InChi:	InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
Synonyms:	(3S)-3,6-diaminohexanoic acid
Definition date:	2010-02-05
Last modified:	2024-09-27
Identifier:	(3S)-3,6-bis(azanyl)hexanoic acid

KCY

KCY
Name:	D-homocysteine
Formula:	C4 H9 N O2 S
SMILES:	C(C(N)CCS)(=O)O
InChi:	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
Definition date:	2015-03-10
Last modified:	2024-09-27
Release date:	2015-04-15
Identifier:	D-homocysteine

KDG

KDG
Name:	2-KETO-3-DEOXYGLUCONATE
Formula:	C6 H10 O6
SMILES:	O=C(C(=O)O)CC(O)C(O)CO
InChi:	InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
Definition date:	2004-04-12
Last modified:	2024-09-27
Identifier:	3-deoxy-D-erythro-hex-2-ulosonic acid

621

621
Name:	N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide
Formula:	C14 H25 N3 O6
SMILES:	O=C(NC(C(=O)CO)CC(C)C)C(NC(=O)CNC(=O)C)CO
InChi:	InChI=1S/C14H25N3O6/c1-8(2)4-10(12(21)7-19)17-14(23)11(6-18)16-13(22)5-15-9(3)20/h8,10-11,18-19H,4-7H2,1-3H3,(H,15,20)(H,16,22)(H,17,23)/t10-,11-/m0/s1
Definition date:	2010-12-02
Last modified:	2024-09-27
Identifier:	N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide

0WO

0WO
Name:	(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid
Formula:	C19 H21 N3 O6 S
SMILES:	O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C
InChi:	InChI=1S/C19H21N3O6S/c1-9-11(12(22-28-9)10-7-5-4-6-8-10)15(23)20-13(17(24)25)16-21-14(18(26)27)19(2,3)29-16/h4-8,13-14,16,21H,1-3H3,(H,20,23)(H,24,25)(H,26,27)/t13-,14-,16+/m0/s1
Synonyms:	Oxacillin, hydroxylated form
Definition date:	2012-07-27
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

0ZY

0ZY
Name:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide
Formula:	C19 H40 B N4 O6
SMILES:	O=C(NC(B(O)OC)CCCC[NH3+])C(NC(=O)C(NC(=O)OC(C)(C)C)C)C(C)C
InChi:	InChI=1S/C19H39BN4O6/c1-12(2)15(17(26)23-14(20(28)29-7)10-8-9-11-21)24-16(25)13(3)22-18(27)30-19(4,5)6/h12-15,28H,8-11,21H2,1-7H3,(H,22,27)(H,23,26)(H,24,25)/p+1/t13-,14-,15-/m0/s1
Definition date:	2008-08-19
Last modified:	2024-09-27
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide

0ZZ

0ZZ
Name:	5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid
Formula:	C26 H33 Br N2 O6 S
SMILES:	Brc1cc(c(OC)cc1)CC(=O)NC(C(=O)NC(CC(=O)O)C(O)CSCc2ccccc2)C(C)C
InChi:	InChI=1S/C26H33BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20-21,25,30H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,21+,25-/m0/s1
Definition date:	2008-08-15
Last modified:	2024-09-27
Identifier:	5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid

KPF

KPF
Name:	N-(1-carboxy-2-fluoro-ethenyl) lysine
Formula:	C9 H15 F N2 O4
SMILES:	N[CH](CCCCN=C(CF)C(O)=O)C(O)=O
InChi:	InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1
Definition date:	2015-07-15
Last modified:	2024-09-27
Release date:	2015-11-18
Identifier:	(2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid

KPI

KPI
Name:	(2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid
Formula:	C9 H16 N2 O4
SMILES:	OC(C(N)CCCCN=C(/C)C(O)=O)=O
InChi:	InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1
Definition date:	2008-07-25
Last modified:	2024-09-27
Identifier:	(E)-N~6~-(1-carboxyethylidene)-L-lysine

KV6

KV6
Name:	(3R)-3-aminoheptadecanoic acid
Formula:	C17 H35 N O2
SMILES:	NC(CCCCCCCCCCCCCC)CC(=O)O
InChi:	InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1
Synonyms:	N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl )-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl ]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
Definition date:	2022-02-16
Last modified:	2024-09-27
Release date:	2023-03-01
Identifier:	(3R)-3-aminoheptadecanoic acid

KWS

KWS
Name:	{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C9 H13 N3 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=C
InChi:	InChI=1S/C9H13N3O4/c1-4-9(16)12(3-6(14)15)8(11-4)7(10)5(2)13/h5,7,13H,1,3,10H2,2H3,(H,14,15)/t5-,7+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2011-11-18
Last modified:	2024-09-27
Identifier:	{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

B27

B27
Name:	(2R,3S) 3-amino-4-mercapto-2-butanol
Formula:	C4 H11 N O S
SMILES:	OC(C)C(N)CS
InChi:	InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1
Synonyms:	(2R,3S)-3-amino-4-sulfanylbutan-2-ol
Definition date:	2009-05-20
Last modified:	2024-09-27
Identifier:	(2R,3S)-3-amino-4-sulfanylbutan-2-ol

B2I

B2I
Name:	ISOLEUCINE BORONIC ACID
Formula:	C5 H14 B N O2
SMILES:	OB(O)C(N)C(C)CC
InChi:	InChI=1S/C5H14BNO2/c1-3-4(2)5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t4-,5+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R,2R)-1-amino-2-methylbutyl]boronic acid

B2V

B2V
Name:	VALINE BORONIC ACID
Formula:	C4 H12 B N O2
SMILES:	OB(O)C(N)C(C)C
InChi:	InChI=1S/C4H12BNO2/c1-3(2)4(6)5(7)8/h3-4,7-8H,6H2,1-2H3/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-amino-2-methylpropyl]boronic acid

B3A

B3A
Name:	(3S)-3-AMINOBUTANOIC ACID
Formula:	C4 H9 N O2
SMILES:	O=C(O)CC(N)C
InChi:	InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3S)-3-aminobutanoic acid

B3D

B3D
Name:	3-AMINOPENTANEDIOIC ACID
Formula:	C5 H9 N O4
SMILES:	O=C(O)CC(N)CC(=O)O
InChi:	InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
Synonyms:	BETA-HOMOASPARTATE
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	3-aminopentanedioic acid

B3E

B3E
Name:	(3S)-3-AMINOHEXANEDIOIC ACID
Formula:	C6 H11 N O4
SMILES:	O=C(O)CCC(N)CC(=O)O
InChi:	InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3S)-3-aminohexanedioic acid

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