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UYI

UYI
Name:	2-azanyl-N-[(2R)-1-[(3R)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide
Formula:	C31 H42 N6 O3
SMILES:	CN(C)N(C)C(=O)[C]1(CCCN(C1)C(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4ccccc4
InChi:	InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1
Definition date:	2023-06-27
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	2-azanyl-~{N}-[(2~{R})-1-[(3~{R})-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

A1IJY

A1IJY
Name:	(2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-carboxyphenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Formula:	C22 H27 N3 O8
SMILES:	C[CH](N[CH]([CH]1CCCN1C(=O)c2ccc(cc2)C(O)=O)C(O)=O)C(=O)N3CCC[CH]3C(O)=O
InChi:	InChI=1S/C22H27N3O8/c1-12(18(26)25-11-3-5-16(25)21(30)31)23-17(22(32)33)15-4-2-10-24(15)19(27)13-6-8-14(9-7-13)20(28)29/h6-9,12,15-17,23H,2-5,10-11H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t12-,15-,16-,17-/m0/s1
Definition date:	2024-08-03
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-(4-carboxyphenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

A1IJZ

A1IJZ
Name:	(2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Formula:	C23 H32 N4 O6
SMILES:	C[CH](N[CH]([CH]1CCCN1C(=O)[CH](N)Cc2ccccc2)C(O)=O)C(=O)N3CCC[CH]3C(O)=O
InChi:	InChI=1S/C23H32N4O6/c1-14(20(28)27-12-6-10-18(27)22(30)31)25-19(23(32)33)17-9-5-11-26(17)21(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,25H,5-6,9-13,24H2,1H3,(H,30,31)(H,32,33)/t14-,16-,17-,18-,19-/m0/s1
Definition date:	2024-08-03
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

A1ISO

A1ISO
Name:	n-heptylamine
Formula:	C7 H17 N
SMILES:	CCCCCCCN
InChi:	InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
Synonyms:	heptan-1-amine
Definition date:	2024-10-25
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	heptan-1-amine

A1ITF

A1ITF
Name:	4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile
Formula:	C20 H23 F N6 O2
SMILES:	CO[CH]1C[CH](CN(C1)C(=O)c2c[nH]c(c2)C#N)c3ccnc(n3)N4CC[CH](F)C4
InChi:	InChI=1S/C20H23FN6O2/c1-29-17-7-14(10-27(12-17)19(28)13-6-16(8-22)24-9-13)18-2-4-23-20(25-18)26-5-3-15(21)11-26/h2,4,6,9,14-15,17,24H,3,5,7,10-12H2,1H3/t14-,15+,17+/m0/s1
Definition date:	2024-10-30
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile

A1L09

A1L09
Name:	~{N}-[(2~{S})-1-[[4-[(dimethylamino)methyl]phenyl]methylamino]-1-oxidanylidene-hexan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
Formula:	C28 H40 N4 O3
SMILES:	CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)NCc3ccc(CN(C)C)cc3
InChi:	InChI=1S/C28H40N4O3/c1-7-8-9-21(26(34)29-16-19-10-12-20(13-11-19)17-32(5)6)31-27(35)25-18(2)24-22(30-25)14-28(3,4)15-23(24)33/h10-13,21,30H,7-9,14-17H2,1-6H3,(H,29,34)(H,31,35)/t21-/m0/s1
Definition date:	2024-04-24
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	~{N}-[(2~{S})-1-[[4-[(dimethylamino)methyl]phenyl]methylamino]-1-oxidanylidene-hexan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide

A1L3A

A1L3A
Name:	bozitinib
Formula:	C20 H15 F3 N8
SMILES:	Cn1cc2cc(c(F)cc2n1)C(F)(F)c3nnc4ccc(nn34)c5cnn(c5)C6CC6
InChi:	InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3
Synonyms:	9-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-3-(1-cyclopropylpyrazol-4-yl)-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1,3,5,8-tetraene
Definition date:	2024-07-24
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	3-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

HHX

HHX
Name:	[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[methanoyl(methyl)amino]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C11 H16 N3 O9 P
SMILES:	CN(C=O)[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O
InChi:	InChI=1S/C11H16N3O9P/c1-13(5-15)8-9(17)6(4-22-24(19,20)21)23-10(8)14-3-2-7(16)12-11(14)18/h2-3,5-6,8-10,17H,4H2,1H3,(H,12,16,18)(H2,19,20,21)/t6-,8-,9-,10-/m1/s1
Definition date:	2021-01-13
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[methanoyl(methyl)amino]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

IXB

IXB
Name:	(3S)-1-(3-aminocarbonylphenyl)carbonyl-2,3-dihydroindole-3-carboxylic acid
Formula:	C17 H14 N2 O4
SMILES:	NC(=O)c1cccc(c1)C(=O)N2C[CH](C(O)=O)c3ccccc23
InChi:	InChI=1S/C17H14N2O4/c18-15(20)10-4-3-5-11(8-10)16(21)19-9-13(17(22)23)12-6-1-2-7-14(12)19/h1-8,13H,9H2,(H2,18,20)(H,22,23)/t13-/m1/s1
Synonyms:	1-(3-carbamoylbenzoyl)-2,3-dihydro-1H-indole-3-carboxylic acid
Definition date:	2022-04-19
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(3~{S})-1-(3-aminocarbonylphenyl)carbonyl-2,3-dihydroindole-3-carboxylic acid

A1AAA

A1AAA
Name:	(3M)-N~6~-(1,4-dimethyl-1H-pyrazol-3-yl)-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine
Formula:	C17 H18 N8
SMILES:	Cn1cc(C)c(Nc2ncc3c(c2)cc(nc3N)c2cncn2C)n1
InChi:	InChI=1S/C17H18N8/c1-10-8-25(3)23-17(10)22-15-5-11-4-13(14-7-19-9-24(14)2)21-16(18)12(11)6-20-15/h4-9H,1-3H3,(H2,18,21)(H,20,22,23)
Definition date:	2023-12-12
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(3M)-N~6~-(1,4-dimethyl-1H-pyrazol-3-yl)-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine

A1AAE

A1AAE
Name:	(3M)-N~6~-ethyl-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine
Formula:	C14 H16 N6
SMILES:	Cn1cncc1c1nc(N)c2cnc(NCC)cc2c1
InChi:	InChI=1S/C14H16N6/c1-3-17-13-5-9-4-11(12-7-16-8-20(12)2)19-14(15)10(9)6-18-13/h4-8H,3H2,1-2H3,(H2,15,19)(H,17,18)
Definition date:	2023-12-12
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(3M)-N~6~-ethyl-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine

A1AIA

A1AIA
Name:	primidone
Formula:	C12 H14 N2 O2
SMILES:	CCC1(C(=O)NCNC1=O)c1ccccc1
InChi:	InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
Synonyms:	5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
Definition date:	2024-03-15
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	5-ethyl-5-phenyl-1,3-diazinane-4,6-dione

A1AIB

A1AIB
Name:	(2S)-2-(3,4-dihydroquinolin-1(2H)-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
Formula:	C21 H21 N3 O2
SMILES:	Cc1cc(NC(=O)C(c2ccccc2)N2CCCc3ccccc32)no1
InChi:	InChI=1S/C21H21N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,14,20H,7,11,13H2,1H3,(H,22,23,25)/t20-/m0/s1
Definition date:	2024-03-15
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(2S)-2-(3,4-dihydroquinolin-1(2H)-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

A1BEE

A1BEE
Name:	5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(2P)-2-{1-[2-(dimethylamino)-2-oxoethyl]-1H-pyrazol-4-yl}quinolin-4-yl]ethyl}-2-methylbenzamide
Formula:	C30 H36 N6 O3
SMILES:	O=C(Cn1cc(cn1)c1cc(C(C)NC(=O)c2cc(OCCN(C)C)ccc2C)c2ccccc2n1)N(C)C
InChi:	InChI=1S/C30H36N6O3/c1-20-11-12-23(39-14-13-34(3)4)15-25(20)30(38)32-21(2)26-16-28(33-27-10-8-7-9-24(26)27)22-17-31-36(18-22)19-29(37)35(5)6/h7-12,15-18,21H,13-14,19H2,1-6H3,(H,32,38)
Definition date:	2024-10-28
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(2P)-2-{1-[2-(dimethylamino)-2-oxoethyl]-1H-pyrazol-4-yl}quinolin-4-yl]ethyl}-2-methylbenzamide

A1BEF

A1BEF
Name:	5-[(3S)-3,4-dimethylpiperazin-1-yl]-2-methyl-N-{(1R)-1-[(2M)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}benzamide
Formula:	C29 H34 N6 O
SMILES:	Cn1cc(cn1)c1nc2ccccc2c(c1)C(C)NC(=O)c1cc(ccc1C)N1CC(C)N(C)CC1
InChi:	InChI=1S/C29H34N6O/c1-19-10-11-23(35-13-12-33(4)20(2)17-35)14-25(19)29(36)31-21(3)26-15-28(22-16-30-34(5)18-22)32-27-9-7-6-8-24(26)27/h6-11,14-16,18,20-21H,12-13,17H2,1-5H3,(H,31,36)
Definition date:	2024-10-28
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	5-[(3S)-3,4-dimethylpiperazin-1-yl]-2-methyl-N-{(1R)-1-[(2M)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}benzamide

A1BJB

A1BJB
Name:	(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
Formula:	C25 H25 B N4 O10
SMILES:	O=C(O)c1ccc(cc1)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(=O)NC1Cc2cccc(c2OB1O)C(=O)O
InChi:	InChI=1S/C25H25BN4O10/c1-2-29-10-11-30(22(33)21(29)32)25(38)28-18(13-6-8-14(9-7-13)23(34)35)20(31)27-17-12-15-4-3-5-16(24(36)37)19(15)40-26(17)39/h3-9,17-18,39H,2,10-12H2,1H3,(H,27,31)(H,28,38)(H,34,35)(H,36,37)/t17-,18+/m0/s1
Definition date:	2024-12-06
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid

A1BNR

A1BNR
Name:	N-cyclohexyl-2-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Formula:	C16 H19 N3 O2 S
SMILES:	O=C1N=C(SCC(=O)NC2CCCCC2)Nc2ccccc21
InChi:	InChI=1S/C16H19N3O2S/c20-14(17-11-6-2-1-3-7-11)10-22-16-18-13-9-5-4-8-12(13)15(21)19-16/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,20)(H,18,19,21)
Definition date:	2025-01-07
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	N-cyclohexyl-2-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]acetamide

SFG

SFG
Name:	SINEFUNGIN
Formula:	C15 H23 N7 O5
SMILES:	O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
Synonyms:	ADENOSYL-ORNITHINE
Definition date:	1999-07-08
Last modified:	2025-01-14
Identifier:	(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid (non-preferred name)

WHE

WHE
Name:	(4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide
Formula:	C23 H21 Cl F N5 O S
SMILES:	Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC)c2cc1CN1CCC1
InChi:	InChI=1S/C23H21ClFN5OS/c1-26-23(31)21-10-16(13-32-21)30-20-9-15(12-29-6-3-7-29)19(8-14(20)11-27-30)28-22-17(24)4-2-5-18(22)25/h2,4-5,8-11,13,28H,3,6-7,12H2,1H3,(H,26,31)
Definition date:	2022-09-09
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	(4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide

VP4

VP4
Name:	N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide
Formula:	C21 H23 Cl N4 O2
SMILES:	CN(c1cc(ccc1Cl)NC(=O)C(C)Nc2ccc3c(c2)cc(cn3)CO)C
InChi:	InChI=1S/C21H23ClN4O2/c1-13(21(28)25-17-4-6-18(22)20(10-17)26(2)3)24-16-5-7-19-15(9-16)8-14(12-27)11-23-19/h4-11,13,24,27H,12H2,1-3H3,(H,25,28)/t13-/m0/s1
Definition date:	2020-08-31
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide

A1D5F

A1D5F
Name:	4-oxidanylbutyl ~{N}-[4-[(4-aminophenyl)methyl]phenyl]carbamate
Formula:	C18 H22 N2 O3
SMILES:	Nc1ccc(Cc2ccc(NC(=O)OCCCCO)cc2)cc1
InChi:	InChI=1S/C18H22N2O3/c19-16-7-3-14(4-8-16)13-15-5-9-17(10-6-15)20-18(22)23-12-2-1-11-21/h3-10,21H,1-2,11-13,19H2,(H,20,22)
Definition date:	2024-01-10
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	4-oxidanylbutyl ~{N}-[4-[(4-aminophenyl)methyl]phenyl]carbamate

OG0

OG0
Name:	7-cyclopentyl-N,N-dimethyl-2-[4-(methylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:	C22 H26 N6 O2
SMILES:	CNC(=O)c1ccc(cc1)Nc1ncc2cc(C(=O)N(C)C)n(c2n1)C1CCCC1
InChi:	InChI=1S/C22H26N6O2/c1-23-20(29)14-8-10-16(11-9-14)25-22-24-13-15-12-18(21(30)27(2)3)28(19(15)26-22)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3,(H,23,29)(H,24,25,26)
Definition date:	2022-04-29
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	7-cyclopentyl-N,N-dimethyl-2-[4-(methylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

OGR

OGR
Name:	7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:	C21 H25 N7 O2
SMILES:	CNC(=O)c1ccc(nc1)Nc1ncc2cc(C(=O)N(C)C)n(c2n1)C1CCCC1
InChi:	InChI=1S/C21H25N7O2/c1-22-19(29)13-8-9-17(23-11-13)25-21-24-12-14-10-16(20(30)27(2)3)28(18(14)26-21)15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3,(H,22,29)(H,23,24,25,26)
Definition date:	2022-04-29
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

XW7

XW7
Name:	valbenazine
Formula:	C24 H38 N2 O4
SMILES:	COc1cc2CCN3C[CH](CC(C)C)[CH](C[CH]3c2cc1OC)OC(=O)[CH](N)C(C)C
InChi:	InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1
Synonyms:	[(2~{R},3~{R},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl] (2~{S})-2-azanyl-3-methyl-butanoate
Definition date:	2023-11-14
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	[(2~{R},3~{R},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl] (2~{S})-2-azanyl-3-methyl-butanoate

PTE

PTE
Name:	TUNGSTOPTERIN COFACTOR
Formula:	C20 H22 Mg N10 O14 P2 S4 W
SMILES:	O.O.NC1=NC2=C(N[CH]3[CH](N2)O[CH]4CO[P](O)(=O)O[Mg]O[P](O)(=O)OC[CH]5O[CH]6NC7=C(N[CH]6C8=C5S[W]9(SC4=C3S9)S8)C(=O)NC(=N7)N)C(=O)N1
InChi:	InChI=1S/2C10H14N5O6PS2.Mg.2H2O.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19
Definition date:	1999-07-08
Last modified:	2025-01-10
Identifier:	(5~{R},14~{R},16~{R},26~{R},28~{R},37~{R})-10,32-bis(azanyl)-21,21-bis($l^{1}-oxidanyl)-19,23-bis(oxidanyl)-19,23-bis(oxidanylidene)-15,18,20,22,24,27-hexaoxa-2,40,41,42-tetrathia-6,9,11,13,29,31,33,36-octaza-19$l^{5},23$l^{5}-diphospha-1$l^{4}-tungsta-21$l^{4}-magnesanonacyclo[36.2.1.1^{1,4}.0^{3,16}.0^{5,14}.0^{7,12}.0^{26,39}.0^{28,37}.0^{30,35}]dotetraconta-3,7(12),10,30(35),31,38-hexaene-8,34-dione

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243531

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