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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

W5W

W5W
Name:	(1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione
Formula:	C18 H20 O7
SMILES:	CO[C]1(C)[CH](O)C(=O)C(=C2OC(=O)c3c(C)cc(O)c(C)c3O[CH]12)C
InChi:	InChI=1S/C18H20O7/c1-7-6-10(19)8(2)13-11(7)17(22)25-14-9(3)12(20)15(21)18(4,23-5)16(14)24-13/h6,15-16,19,21H,1-5H3/t15-,16+,18+/m1/s1
Definition date:	2023-05-03
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(1~{S},2~{S},11~{a}~{S})-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11~{a}-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione

QQC

QQC
Name:	3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
Formula:	C23 H25 Cl F N7 O
SMILES:	Cc1[nH]nc(Nc2cc(CN3CCOCC3)c4nc(C)c(Cc5ccc(Cl)cc5F)n4n2)c1
InChi:	InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)
Definition date:	2022-11-11
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

W9X

W9X
Name:	[6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone
Formula:	C23 H25 N7 O2
SMILES:	Cc1ccc(O)c(C)c1n2c(N)c(C(=O)N3CCn4nccc4C3)c5nc(C)c(C)nc25
InChi:	InChI=1S/C23H25N7O2/c1-12-5-6-17(31)13(2)20(12)30-21(24)18(19-22(30)27-15(4)14(3)26-19)23(32)28-9-10-29-16(11-28)7-8-25-29/h5-8,31H,9-11,24H2,1-4H3
Definition date:	2023-09-29
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	[6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone

SEE

SEE
Name:	trihydroxy(L-serinato-kappaO~3~)borate(1-)
Formula:	C3 H9 B N O6
SMILES:	O=C(O)C(N)CO[B-](O)(O)O
InChi:	InChI=1S/C3H9BNO6/c5-2(3(6)7)1-11-4(8,9)10/h2,8-10H,1,5H2,(H,6,7)/q-1/t2-/m0/s1
Definition date:	2009-03-03
Last modified:	2023-11-03
Identifier:	trihydroxy(L-serinato-kappaO~3~)borate(1-)

X9H

X9H
Name:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
Formula:	C23 H20 N6 O
SMILES:	C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1
InChi:	InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1
Definition date:	2022-11-07
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide

XYX

XYX
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide
Formula:	C24 H23 B N O5
SMILES:	CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1
Definition date:	2023-06-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide

XZC

XZC
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide
Formula:	C23 H23 B N O5
SMILES:	COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1
Definition date:	2023-06-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide

TLX

TLX
Name:	N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE
Formula:	C13 H27 N3
SMILES:	N21CCCC1N(CCC2)CC(N)CC(C)C
InChi:	InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2S)-1-[(8aR)-hexahydropyrrolo[1,2-a]pyrimidin-1(2H)-yl]-4-methylpentan-2-amine

TRN

TRN
Name:	NZ2-TRYPTOPHAN
Formula:	C10 H11 N3 O2
SMILES:	O=C(O)C(N)Cc2c1cccnc1nc2
InChi:	InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine

PXA

PXA
Name:	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE
Formula:	C15 H11 N3 O4
SMILES:	O=CC=2C1=Nc3c(ncc(c3OC1=C(C(=O)C=2N)C)C)C=O
InChi:	InChI=1S/C15H11N3O4/c1-6-3-17-9(5-20)12-14(6)22-15-7(2)13(21)10(16)8(4-19)11(15)18-12/h3-5H,16H2,1-2H3
Synonyms:	(8-AZA)PHENOXAZINE
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	8-amino-4,6-dimethyl-7-oxo-7H-pyrido[4,3-b][1,4]benzoxazine-1,9-dicarbaldehyde

23S

23S
Name:	(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2004-01-02
Last modified:	2023-11-03
Identifier:	3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine

32S

32S
Name:	(S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1[se]ccc1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
Definition date:	2003-12-30
Last modified:	2023-11-03
Identifier:	3-(4H-selenopheno[3,2-b]pyrrol-6-yl)-L-alanine

32T

32T
Name:	(S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 S
SMILES:	O=C(O)C(N)Cc2c1sccc1nc2
InChi:	InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
Definition date:	2003-12-30
Last modified:	2023-11-03
Identifier:	3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine

B2A

B2A
Name:	ALANINE BORONIC ACID
Formula:	C2 H8 B N O2
SMILES:	OB(O)C(N)C
InChi:	InChI=1S/C2H8BNO2/c1-2(4)3(5)6/h2,5-6H,4H2,1H3/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-aminoethyl]boronic acid

B2F

B2F
Name:	PHENYLALANINE BORONIC ACID
Formula:	C8 H12 B N O2
SMILES:	OB(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-2-phenylethyl]boronic acid

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:	2023-11-03
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:	2023-11-03
Identifier:	[(1R)-1-amino-2-methylpropyl]boronic acid

BLE

BLE
Name:	LEUCINE BORONIC ACID
Formula:	C5 H14 B N O2
SMILES:	OB(O)C(N)CC(C)C
InChi:	InChI=1S/C5H14BNO2/c1-4(2)3-5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-3-methylbutyl]boronic acid

BNO

BNO
Name:	NORLEUCINE BORONIC ACID
Formula:	C5 H14 B N O2
SMILES:	OB(O)C(N)CCCC
InChi:	InChI=1S/C5H14BNO2/c1-2-3-4-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-aminopentyl]boronic acid

BOR

BOR
Name:	(1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID
Formula:	C5 H15 B N4 O2
SMILES:	OB(O)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C5H15BN4O2/c7-4(6(11)12)2-1-3-10-5(8)9/h4,11-12H,1-3,7H2,(H4,8,9,10)/t4-/m0/s1
Synonyms:	BORO ARGININE
Definition date:	2003-03-24
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-4-carbamimidamidobutyl]boronic acid

4AW

4AW
Name:	4-AZATRYPTOPHAN
Formula:	C10 H11 N3 O2
SMILES:	O=C(O)C(N)Cc2c1ncccc1nc2
InChi:	InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1
Definition date:	2012-07-16
Last modified:	2023-11-03
Release date:	2013-05-29
Identifier:	3-(1H-pyrrolo[3,2-b]pyridin-3-yl)-L-alanine

66C

66C
Name:	4-[8-(beta-alanyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-L-phenylalanine
Formula:	C27 H26 N6 O3
SMILES:	O=C(CCN)N2Cc1ccccc1c4c(c3c2cccc3)nnn4c5ccc(cc5)CC(C(=O)O)N
InChi:	InChI=1S/C27H26N6O3/c28-14-13-24(34)32-16-18-5-1-2-6-20(18)26-25(21-7-3-4-8-23(21)32)30-31-33(26)19-11-9-17(10-12-19)15-22(29)27(35)36/h1-12,22H,13-16,28-29H2,(H,35,36)/t22-/m0/s1
Definition date:	2016-02-03
Last modified:	2023-11-03
Release date:	2016-07-13
Identifier:	4-[8-(beta-alanyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-L-phenylalanine

IKJ

IKJ
Name:	(2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid
Formula:	C13 H21 B N O2 P
SMILES:	B[PH]1(CCCC1)c2ccc(C[CH](N)C(O)=O)cc2
InChi:	InChI=1S/C13H21BNO2P/c14-18(7-1-2-8-18)11-5-3-10(4-6-11)9-12(15)13(16)17/h3-6,12,18H,1-2,7-9,14-15H2,(H,16,17)/t12-/m0/s1
Synonyms:	P3F
Definition date:	2022-07-07
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid

7N8

7N8
Name:	4-Borono-L-phenylalanine
Formula:	C9 H12 B N O4
SMILES:	N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
InChi:	InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-11-24
Last modified:	2023-11-03
Release date:	2017-10-11
Identifier:	(2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid

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