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Q9F

Q9F
Name:	4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:	C25 H18 Cl N O5 S
SMILES:	OC(=O)c1c(O)cc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:	InChI=1S/C25H18ClNO5S/c26-20-10-6-18(7-11-20)19-14-22(24(25(29)30)23(28)15-19)27-33(31,32)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid

VOO

VOO
Name:	2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
Formula:	C26 H26 F N5 O2
SMILES:	CNc1cc(F)cc2cc([nH]c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5
InChi:	InChI=1S/C26H26FN5O2/c1-28-22-15-21(27)13-19-14-23(30-24(19)22)26(34)32-10-6-17-4-5-18(12-20(17)16-32)25(33)29-7-11-31-8-2-3-9-31/h2-5,8-9,12-15,28,30H,6-7,10-11,16H2,1H3,(H,29,33)
Definition date:	2023-08-02
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-[[5-fluoranyl-7-(methylamino)-1~{H}-indol-2-yl]carbonyl]-~{N}-(2-pyrrol-1-ylethyl)-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide

SRM

SRM
Name:	SIROHEME
Formula:	C42 H44 Fe N4 O16
SMILES:	O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O
InChi:	InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29
Definition date:	1999-07-08
Last modified:	2023-11-29
Identifier:	{3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron

TI6

TI6
Name:	[(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol
Formula:	C8 H17 N O3 S
SMILES:	CC1CCCN(C1CO)S(=O)(C)=O
InChi:	InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	[(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol

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:	2023-11-11
Identifier:	(E)-N~6~-(1-carboxyethylidene)-L-lysine

XPL

XPL
Name:	N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine
Formula:	C12 H24 N4 O3
SMILES:	O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C
InChi:	InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1
Synonyms:	4-amino reduced pyrrolysine
Definition date:	2014-07-30
Last modified:	2023-11-03
Identifier:	N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine

ZUK

ZUK
Name:	5-pyrimidin-2-yl-D-norvaline
Formula:	C9 H13 N3 O2
SMILES:	O=C(O)C(N)CCCc1ncccn1
InChi:	InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1
Definition date:	2009-07-31
Last modified:	2023-11-03
Identifier:	5-pyrimidin-2-yl-D-norvaline

XCP

XCP
Name:	(1S,2S)-2-aminocyclopentanecarboxylic acid
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1CCCC1N
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:	2008-02-05
Last modified:	2023-11-03
Identifier:	(1S,2S)-2-aminocyclopentanecarboxylic acid

ZYJ

ZYJ
Name:	(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
Formula:	C14 H18 N2 O5
SMILES:	O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2
InChi:	InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1
Definition date:	2010-10-22
Last modified:	2023-11-03
Identifier:	(4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline

ZYK

ZYK
Name:	(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline
Formula:	C14 H18 N2 O6
SMILES:	O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2
InChi:	InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1
Synonyms:	3,4-dimethoxybenzamidoxy proline
Definition date:	2010-10-22
Last modified:	2023-11-03
Identifier:	(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline

YCP

YCP
Name:	(2S)-piperidine-2-carboxylic acid
Formula:	C6 H11 N O2
SMILES:	OC(=O)[CH]1CCCCN1
InChi:	InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
Definition date:	2010-01-07
Last modified:	2023-11-03
Identifier:	(2S)-piperidine-2-carboxylic acid

SLL

SLL
Name:	(2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid
Formula:	C10 H18 N2 O5
SMILES:	O=C(O)C(N)CCCCNC(=O)CCC(=O)O
InChi:	InChI=1S/C10H18N2O5/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
Synonyms:	6-N-succinyl-L-lysine
Definition date:	2010-03-04
Last modified:	2023-11-03
Identifier:	N~6~-(3-carboxypropanoyl)-L-lysine

TLY

TLY
Name:	(2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid
Formula:	C8 H16 N2 O2 S
SMILES:	O=C(O)C(N)CCCCNC(=S)C
InChi:	InChI=1S/C8H16N2O2S/c1-6(13)10-5-3-2-4-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1
Synonyms:	6-N-thiolacetyl-L-lysine
Definition date:	2010-03-04
Last modified:	2023-11-03
Identifier:	N~6~-ethanethioyl-L-lysine

9PR

9PR
Name:	N-methyl-L-prolinamide
Formula:	C6 H12 N2 O
SMILES:	O=C(NC)C1NCCC1
InChi:	InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
Definition date:	2010-12-09
Last modified:	2023-11-03
Identifier:	N-methyl-L-prolinamide

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:	2023-11-03
Release date:	2015-11-18
Identifier:	(2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid

KYQ

KYQ
Name:	(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
Formula:	C9 H16 N2 O5
SMILES:	O=C(O)C(N)CCCC/N=C(/C(=O)O)CO
InChi:	InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1
Definition date:	2008-04-04
Last modified:	2023-11-03
Identifier:	(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine

ECX

ECX
Name:	S-ethyl-L-cysteine
Formula:	C5 H11 N O2 S
SMILES:	O=C(O)C(N)CSCC
InChi:	InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Definition date:	2009-09-28
Last modified:	2023-11-03
Identifier:	S-ethyl-L-cysteine

FP9

FP9
Name:	(4R)-4-fluoro-L-proline
Formula:	C5 H8 F N O2
SMILES:	O=C(O)C1NCC(F)C1
InChi:	InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
Definition date:	2009-08-18
Last modified:	2023-11-03
Identifier:	(4R)-4-fluoro-L-proline

FPK

FPK
Name:	1-formyl-L-proline
Formula:	C6 H9 N O3
SMILES:	O=CN1C(C(=O)O)CCC1
InChi:	InChI=1S/C6H9NO3/c8-4-7-3-1-2-5(7)6(9)10/h4-5H,1-3H2,(H,9,10)/t5-/m0/s1
Definition date:	2012-10-08
Last modified:	2023-11-03
Release date:	2013-05-29
Identifier:	1-formyl-L-proline

LGY

LGY
Name:	(E)-N~6~-(4-oxobutylidene)-L-lysine
Formula:	C10 H18 N2 O3
SMILES:	O=C(O)C(N)CCCC/N=C/CCC=O
InChi:	InChI=1S/C10H18N2O3/c11-9(10(14)15)5-1-2-6-12-7-3-4-8-13/h7-9H,1-6,11H2,(H,14,15)/b12-7+/t9-/m0/s1
Definition date:	2010-07-16
Last modified:	2023-11-03
Identifier:	(E)-N~6~-(4-oxobutylidene)-L-lysine

3PX

3PX
Name:	(3S)-3-(propan-2-yloxy)-L-proline
Formula:	C8 H15 N O3
SMILES:	O=C(O)C1NCCC1OC(C)C
InChi:	InChI=1S/C8H15NO3/c1-5(2)12-6-3-4-9-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
Definition date:	2011-04-26
Last modified:	2023-11-03
Identifier:	(3S)-3-(propan-2-yloxy)-L-proline

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:	2023-11-03
Identifier:	(2E)-5-carbamimidamido-2-iminopentanoic acid

LCK

LCK
Name:	(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine
Formula:	C10 H18 N2 O4
SMILES:	O=C(O)CC(=N/CCCCC(N)C(=O)O)C
InChi:	InChI=1S/C10H18N2O4/c1-7(6-9(13)14)12-5-3-2-4-8(11)10(15)16/h8H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-7-/t8-/m0/s1
Definition date:	2008-02-15
Last modified:	2023-11-03
Identifier:	(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine

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:	2023-11-03
Identifier:	(3S)-3,6-bis(azanyl)hexanoic acid

M9P

M9P
Name:	amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium
Formula:	C7 H16 F3 N4 O
SMILES:	FC(F)(F)C(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1
Definition date:	2013-09-18
Last modified:	2023-11-03
Release date:	2014-07-08
Identifier:	amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium

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