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CUP

CUP
Name:	(N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II)
Formula:	C16 H13 Cu N O3
SMILES:	O=C1O[Cu]Oc2ccccc2C=N[CH]1Cc3ccccc3
InChi:	InChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12
Definition date:	2007-02-13
Last modified:	2023-09-23
Identifier:	(6~{S})-6-(phenylmethyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one

CUS

CUS
Name:	(N-SALICYLIDEN-L-LEUCINATO)-COPPER(II)
Formula:	C13 H15 Cu N O3
SMILES:	CC(C)C[CH]1N=Cc2ccccc2O[Cu]OC1=O
InChi:	InChI=1S/C13H17NO3.Cu/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15
Definition date:	2007-02-15
Last modified:	2023-09-23
Identifier:	(6~{S})-6-(2-methylpropyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one

DDH

DDH
Name:	[7,12-DEACETYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2-)-N21,N22,N23,N24]-IRON
Formula:	C34 H32 Fe N4 O6
SMILES:	CC(=O)c1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4C)CCC(O)=O)C(=C6C)CCC(O)=O)C(=C3C(O)=C)C
InChi:	InChI=1S/C34H34N4O6.Fe/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27
Synonyms:	DIACETYLDEUTEROHEME
Definition date:	1999-07-08
Last modified:	2023-09-23

HC1

HC1
Name:	2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER
Formula:	C5 H8 Fe2 O7 S2
SMILES:	O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=O
InChi:	InChI=1S/4CHO.CO.2Fe.2H2O.2S/c5*1-2
Definition date:	1999-08-23
Last modified:	2023-09-23
Identifier:	1,3-bis($l^{3}-oxidanyl)-5-oxidanylidene-2,4-dithia-1$l^{7},3$l^{7}-diferratricyclo[1.1.1.0^{1,3}]pentane-1,1,3,3-tetracarbaldehyde

HEV

HEV
Name:	5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX
Formula:	C36 H32 Fe N4 O4
SMILES:	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C=C)c3C=C)C(=C6C=C)C=C)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C36H34N4O4.Fe/c1-7-21-23(9-3)31-17-32-24(10-4)22(8-2)30(40-32)16-28-20(6)26(12-14-36(43)44)34(38-28)18-33-25(11-13-35(41)42)19(5)27(37-33)15-29(21)39-31
Synonyms:	1,3-DEDIMETHYL-1,3-DIVINYL HEME
Definition date:	2000-04-13
Last modified:	2023-09-23

HIF

HIF
Name:	FE(III)-(4-MESOPORPHYRINONE)
Formula:	C34 H36 Fe N4 O5
SMILES:	CCc1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4CCC(O)=O)C)C(=O)[C]6(C)CC)C(=C3C)CCC(O)=O
InChi:	InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-24-18(4)21(9-11-31(39)40)26(35-24)15-27-22(10-12-32(41)42)19(5)25(36-27)14-29-33(43)34(6,8-2)30(38-29)16-28(20)37-23
Synonyms:	FE-MESOPONE
Definition date:	2002-01-22
Last modified:	2023-09-23

IMF

IMF
Name:	TETRA(IMIDAZOLE)DIAQUACOPPER (I)
Formula:	C12 H20 Cu N8 O2
SMILES:	O.O.[Cu+].[nH]1ccnc1.[nH]2ccnc2.[nH]3ccnc3.[nH]4ccnc4
InChi:	InChI=1S/4C3H4N2.Cu.2H2O/c4*1-2-5-3-4-1
Definition date:	2001-10-08
Last modified:	2023-09-23
Identifier:	tetrakis(1~{H}-imidazol-3-yl)-bis($l^{3}-oxidanyl)copper(1+)

VFO

VFO
Name:	(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C29 H36 F2 N4 O4 S
SMILES:	Cc1ncsc1c2cc3CCC[CH](NC(=O)[CH]4C[CH](O)CN4C(=O)[CH](NC(=O)C5(F)CC5)C(C)(C)C)c3cc2F
InChi:	InChI=1S/C29H36F2N4O4S/c1-15-23(40-14-32-15)19-10-16-6-5-7-21(18(16)12-20(19)30)33-25(37)22-11-17(36)13-35(22)26(38)24(28(2,3)4)34-27(39)29(31)8-9-29/h10,12,14,17,21-22,24,36H,5-9,11,13H2,1-4H3,(H,33,37)(H,34,39)/t17-,21+,22+,24-/m1/s1
Definition date:	2023-03-06
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide

U9F

U9F
Name:	{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron
Formula:	C47 H46 B F3 I N9 O7
SMILES:	F[B-]1(F)[N+]=2C(=Cc3ccc(c4ccc[NH]4)n31)C=CC=2CCC(=O)NCCOCCOCCC(=O)Nc1cccc(c1)N1C2=C(C)C(=O)N(C)C(Nc3ccc(I)cc3F)=C2C(=O)N(C1=O)C1CC1
InChi:	InChI=1S/C47H46BF3IN9O7/c1-28-43-42(44(57(2)45(28)64)56-37-15-8-29(52)25-36(37)49)46(65)59(31-9-10-31)47(66)58(43)33-6-3-5-30(26-33)55-41(63)18-21-67-23-24-68-22-20-54-40(62)17-14-32-11-12-34-27-35-13-16-39(38-7-4-19-53-38)61(35)48(50,51)60(32)34/h3-8,11-13,15-16,19,25-27,31,53,56H,9-10,14,17-18,20-24H2,1-2H3,(H,54,62)(H,55,63)
Definition date:	2023-08-30
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron

YYD

YYD
Name:	6-amino-6-deoxy-alpha-D-glucopyranose
Formula:	C6 H13 N O5
SMILES:	OC1C(O)C(OC(O)C1O)CN
InChi:	InChI=1S/C6H13NO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6+/m1/s1
Definition date:	2012-12-17
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	6-amino-6-deoxy-alpha-D-glucopyranose

W4Z

W4Z
Name:	N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide
Formula:	C8 H15 N O6
SMILES:	CC(=O)NC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C8H15NO6/c1-3(10)9-2-4-5(11)6(12)7(13)8(14)15-4/h4-8,11-14H,2H2,1H3,(H,9,10)/t4-,5-,6+,7-,8+/m1/s1
Definition date:	2023-09-20
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	~{N}-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide

U4F

U4F
Name:	15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
Formula:	C23 H20 N2 O3
SMILES:	O=C1c2ccccc2c3cc(nc4cccc1c34)N5CCC6(CC5)OCCO6
InChi:	InChI=1S/C23H20N2O3/c26-22-16-5-2-1-4-15(16)18-14-20(24-19-7-3-6-17(22)21(18)19)25-10-8-23(9-11-25)27-12-13-28-23/h1-7,14H,8-13H2
Definition date:	2023-01-24
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

M60

M60
Name:	(4S)-5-[[(2S)-1-[2-(carboxymethyl)-2-[(3S)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]hydrazinyl]-3-methyl-1-oxo-butan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Formula:	C32 H41 N5 O11
SMILES:	O=C(NCCc1ccccc1)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CCC(=O)O)C(C)C)CC(=O)O
InChi:	InChI=1S/C32H41N5O11/c1-20(2)28(35-29(44)23(13-14-26(40)41)34-32(47)48-19-22-11-7-4-8-12-22)31(46)36-37(18-27(42)43)25(39)17-24(38)30(45)33-16-15-21-9-5-3-6-10-21/h3-12,20,23-24,28,38H,13-19H2,1-2H3,(H,33,45)(H,34,47)(H,35,44)(H,36,46)(H,40,41)(H,42,43)/t23-,24-,28-/m0/s1
Synonyms:	Cbz-GLU-VAL-azaASP-(S,S)EP-CO-NHCH2CH2Ph
Definition date:	2010-11-08
Last modified:	2023-09-18
Identifier:	(5S,8S)-5-(2-carboxyethyl)-11-{(3S)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}-3,6,9-trioxo-1-phenyl-8-(propan-2-yl)-2-oxa-4,7,10,11-tetraazatridecan-13-oic acid (non-preferred name)

PMW

PMW
Name:	methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate
Formula:	C22 H23 Cl N4 O2 S
SMILES:	CC[CH]([CH]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C(=O)OC
InChi:	InChI=1S/C22H23ClN4O2S/c1-6-16(22(28)29-5)19-20-26-25-13(4)27(20)21-17(11(2)12(3)30-21)18(24-19)14-7-9-15(23)10-8-14/h7-10,16,19H,6H2,1-5H3/t16-,19+/m1/s1
Definition date:	2020-04-26
Last modified:	2023-09-18
Release date:	2020-05-27
Identifier:	methyl (2~{R})-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate

E7U

E7U
Name:	(1S,2R,3R,4R,5'S,6S,7S,8S,9R,12R,13R,15S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol
Formula:	C27 H44 O5
SMILES:	C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5CC[CH]6C[CH](O)[CH](O)C[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C
InChi:	InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,19-,20-,21+,22-,23+,24+,25-,26+,27-/m0/s1
Definition date:	2019-11-13
Last modified:	2023-09-18
Release date:	2020-02-19
Identifier:	(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{S},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol

I8Z

I8Z
Name:	Alpha-D-ribose-1,2-cyclic-phosphate-5-phosphate
Formula:	C5 H10 O10 P2
SMILES:	O[CH]1[CH](CO[P](O)(O)=O)O[CH]2O[P](O)(=O)O[CH]12
InChi:	InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1
Synonyms:	[(5~{R},6~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate
Definition date:	2022-02-25
Last modified:	2023-09-18
Release date:	2022-05-25
Identifier:	[(3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate

ZR2

ZR2
Name:	6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose
Formula:	C78 H152 O9
SMILES:	OC1C(O)C(COC(=O)C(CCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCC)OC(O)C1O
InChi:	InChI=1S/C78H152O9/c1-5-7-9-11-13-15-17-24-32-38-44-50-56-62-70(77(83)86-66-73-74(80)75(81)76(82)78(84)87-73)71(79)63-57-51-45-39-33-27-21-19-20-25-30-36-42-48-54-60-68-65-69(68)61-55-49-43-37-31-26-22-23-28-34-40-46-52-58-64-72(85-4)67(3)59-53-47-41-35-29-18-16-14-12-10-8-6-2/h67-76,78-82,84H,5-66H2,1-4H3/t67-,68-,69+,70-,71-,72-,73+,74-,75-,76+,78-/m1/s1
Definition date:	2023-03-22
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose

Y7C

Y7C
Name:	3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide
Formula:	C11 H12 Cl N5 O
SMILES:	CCCn1nnnc1NC(=O)c1cccc(Cl)c1
InChi:	InChI=1S/C11H12ClN5O/c1-2-6-17-11(14-15-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,16,18)
Definition date:	2023-01-09
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide

V8R

V8R
Name:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
Formula:	C22 H22 N2 O6
SMILES:	O[CH]1[CH](O)[CH](n2cc(CCc3cccc(Oc4ccccc4)c3)nc2[CH]1O)C(O)=O
InChi:	InChI=1S/C22H22N2O6/c25-18-17(22(28)29)24-12-14(23-21(24)20(27)19(18)26)10-9-13-5-4-8-16(11-13)30-15-6-2-1-3-7-15/h1-8,11-12,17-20,25-27H,9-10H2,(H,28,29)/t17-,18+,19-,20+/m0/s1
Definition date:	2023-07-10
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

A0X

A0X
Name:	4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Formula:	C35 H32 F3 N7 O3
SMILES:	Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCCCCNC(=O)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C(F)(F)F
InChi:	InChI=1S/C35H32F3N7O3/c1-22-20-44(21-41-22)28-16-25(35(36,37)38)15-26(17-28)42-33(46)30-18-29-14-24(23(30)2)8-9-27-19-40-32-11-10-31(43-45(27)32)34(47)39-12-6-4-3-5-7-13-48-29/h10-11,14-21H,3-7,12-13H2,1-2H3,(H,39,47)(H,42,46)
Definition date:	2023-05-10
Last modified:	2023-09-15
Release date:	2023-09-20

A4U

A4U
Name:	N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Formula:	C39 H45 N7 O3
SMILES:	CN1CCN(CC1)Cc2cc(NC(=O)c3cc4OCCCCCCCNC(=O)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C7CC7
InChi:	InChI=1S/C39H45N7O3/c1-27-30-10-11-33-25-41-37-13-12-36(43-46(33)37)39(48)40-14-6-4-3-5-7-19-49-34(23-30)24-35(27)38(47)42-32-21-28(20-31(22-32)29-8-9-29)26-45-17-15-44(2)16-18-45/h12-13,20-25,29H,3-9,14-19,26H2,1-2H3,(H,40,48)(H,42,47)
Definition date:	2023-05-10
Last modified:	2023-09-15
Release date:	2023-09-20

A6X

A6X
Name:	4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Formula:	C34 H31 F3 N8 O3
SMILES:	Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCNC(=O)CCNC5=Nn6c(C=C5)ncc6C#Cc(c4)c3C)cc(c2)C(F)(F)F
InChi:	InChI=1S/C34H31F3N8O3/c1-21-19-44(20-41-21)27-15-24(34(35,36)37)14-25(16-27)42-33(47)29-17-28-13-23(22(29)2)5-6-26-18-40-31-8-7-30(43-45(26)31)38-11-9-32(46)39-10-3-4-12-48-28/h7-8,13-20H,3-4,9-12H2,1-2H3,(H,38,43)(H,39,46)(H,42,47)
Definition date:	2023-05-10
Last modified:	2023-09-15
Release date:	2023-09-20

QBL

QBL
Name:	1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione
Formula:	C24 H23 Cl N4 O2 S
SMILES:	Clc1cc(c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c2c(c1)CCCN2C1CNC1
InChi:	InChI=1S/C24H23ClN4O2S/c25-15-8-14-2-1-7-28(16-11-26-12-16)23(14)19(9-15)18-5-6-27-20-10-17(32-24(18)20)13-29-21(30)3-4-22(29)31/h5-6,8-10,16,26H,1-4,7,11-13H2
Definition date:	2022-06-06
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione

3LY

3LY
Name:	[(~{Z},2~{R},3~{S})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
Formula:	C39 H80 N2 O6 P
SMILES:	C[N+](C)(C)CCOP(O)(=O)OCC(NC(=O)CCCCCCCCCCCCCCC)C(O)/C=CCCCCCCCCCCCCC
InChi:	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b32-30-/t37-,38+/m1/s1
Definition date:	2021-07-06
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	(4S,7R)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphatetracosan-1-aminium

JG5

JG5
Name:	Somapacitan
Formula:	C51 H89 N11 O19 S
SMILES:	CC(=O)NCCCC[CH](NC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CC[CH](NC(=O)COCCOCCNC(=O)CCC[S](=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1)C(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C51H89N11O19S/c1-38(63)52-26-16-15-18-39(49(70)71)56-47(68)36-80-33-32-79-30-28-54-44(65)24-22-40(50(72)73)55-45(66)25-23-41(51(74)75)57-48(69)37-81-34-31-78-29-27-53-43(64)21-17-35-82(76,77)60-46(67)20-14-12-10-8-6-4-2-3-5-7-9-11-13-19-42-58-61-62-59-42/h39-41H,2-37H2,1H3,(H,52,63)(H,53,64)(H,54,65)(H,55,66)(H,56,68)(H,57,69)(H,60,67)(H,70,71)(H,72,73)(H,74,75)(H,58,59,61,62)/t39-,40+,41-/m0/s1
Synonyms:	(2S)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4S)-4-carboxy-4-[[2-[2-[2-[4-[16-(1H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
Definition date:	2019-02-20
Last modified:	2023-09-13
Release date:	2020-02-05
Identifier:	(2~{S})-6-acetamido-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid

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