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A1D8S

A1D8S
Name:	(2~{S},4~{S})-4-[(2~{S})-2-azanyl-3-azanylidene-propyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid
Formula:	C8 H13 N3 O3
SMILES:	N[CH](C[CH]1C[CH](NC1=O)C(O)=O)C=N
InChi:	InChI=1S/C8H13N3O3/c9-3-5(10)1-4-2-6(8(13)14)11-7(4)12/h3-6,9H,1-2,10H2,(H,11,12)(H,13,14)/b9-3-/t4-,5-,6-/m0/s1
Definition date:	2024-06-06
Last modified:	2025-10-06
Release date:	2025-06-11
Identifier:	(2~{S},4~{S})-4-[(2~{S})-2-azanyl-3-azanylidene-propyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid

JNR

JNR
Name:	(2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid
Formula:	C13 H18 N4 O3
SMILES:	NC(=N)NCCC[CH](NC(=O)c1ccccc1)C(O)=O
InChi:	InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m1/s1
Definition date:	2022-08-24
Last modified:	2025-10-06
Release date:	2024-08-14
Identifier:	(2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid

JRU

JRU
Name:	methyl 4-methoxy-3-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoate
Formula:	C21 H23 N5 O5 S
SMILES:	COC(=O)c1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1
InChi:	InChI=1S/C21H23N5O5S/c1-13(2)32(28,29)18-8-6-5-7-15(18)24-20-22-12-23-21(26-20)25-16-11-14(19(27)31-4)9-10-17(16)30-3/h5-13H,1-4H3,(H2,22,23,24,25,26)
Definition date:	2023-08-09
Last modified:	2025-10-06
Release date:	2024-06-26
Identifier:	methyl 4-methoxy-3-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoate

A1B7R

A1B7R
Name:	(4M)-4-[3-(5-methylpyridin-2-yl)-1H-pyrazol-4-yl]quinoline
Formula:	C18 H14 N4
SMILES:	Cc1cnc(cc1)c1n[NH]cc1c1ccnc2ccccc21
InChi:	InChI=1S/C18H14N4/c1-12-6-7-17(20-10-12)18-15(11-21-22-18)13-8-9-19-16-5-3-2-4-14(13)16/h2-11H,1H3,(H,21,22)
Definition date:	2025-04-04
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	(4M)-4-[3-(5-methylpyridin-2-yl)-1H-pyrazol-4-yl]quinoline

A1BNV

A1BNV
Name:	N-[2-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)phenyl]-Nalpha-(2-fluorobenzoyl)-D-phenylalaninamide
Formula:	C26 H26 F N3 O4 S
SMILES:	O=S1(=O)CCN(CC1)c1ccccc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1F
InChi:	InChI=1S/C26H26FN3O4S/c27-21-11-5-4-10-20(21)25(31)29-23(18-19-8-2-1-3-9-19)26(32)28-22-12-6-7-13-24(22)30-14-16-35(33,34)17-15-30/h1-13,23H,14-18H2,(H,28,32)(H,29,31)/t23-/m1/s1
Definition date:	2025-01-09
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	N-[2-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)phenyl]-Nalpha-(2-fluorobenzoyl)-D-phenylalaninamide

A1BYD

A1BYD
Name:	Oritinib, bound form
Formula:	C31 H39 N7 O2
SMILES:	CN(C)CCN(C)c1cc(OC)c(cc1NC(=O)CC)Nc1nccc(n1)c1c2ccccc2n2CCCCc12
InChi:	InChI=1S/C31H39N7O2/c1-6-29(39)33-23-19-24(28(40-5)20-27(23)37(4)18-17-36(2)3)35-31-32-15-14-22(34-31)30-21-11-7-8-12-25(21)38-16-10-9-13-26(30)38/h7-8,11-12,14-15,19-20H,6,9-10,13,16-18H2,1-5H3,(H,33,39)(H,32,34,35)
Definition date:	2025-02-26
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	N-[2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-({(4M)-4-[(5R)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pyrimidin-2-yl}amino)phenyl]propanamide

A1BYO

A1BYO
Name:	Limertinib. bound form
Formula:	C29 H34 Cl N7 O2
SMILES:	CN(C)CCN(C)c1cc(OC)c(Nc2nc(Nc3cc4ccccc4cc3)c(Cl)cn2)cc1NC(=O)CC
InChi:	InChI=1S/C29H34ClN7O2/c1-6-27(38)33-23-16-24(26(39-5)17-25(23)37(4)14-13-36(2)3)34-29-31-18-22(30)28(35-29)32-21-12-11-19-9-7-8-10-20(19)15-21/h7-12,15-18H,6,13-14H2,1-5H3,(H,33,38)(H2,31,32,34,35)
Definition date:	2025-02-27
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	N-[5-({5-chloro-4-[(naphthalen-2-yl)amino]pyrimidin-2-yl}amino)-2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxyphenyl]propanamide

A1BYS

A1BYS
Name:	N-[2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-({(4M)-4-[(4S)-8-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amino)phenyl]propanamide
Formula:	C27 H34 N8 O2
SMILES:	CN(C)CCN(C)c1cc(OC)c(cc1NC(=O)CC)Nc1nccc(n1)c1cnc2c(C)cccn12
InChi:	InChI=1S/C27H34N8O2/c1-7-25(36)30-20-15-21(24(37-6)16-22(20)34(5)14-13-33(3)4)32-27-28-11-10-19(31-27)23-17-29-26-18(2)9-8-12-35(23)26/h8-12,15-17H,7,13-14H2,1-6H3,(H,30,36)(H,28,31,32)
Definition date:	2025-02-28
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	N-[2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-({(4M)-4-[(4S)-8-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amino)phenyl]propanamide

A1BYZ

A1BYZ
Name:	(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
Formula:	C25 H38 O5
SMILES:	CC(C)(CC)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
InChi:	InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
Definition date:	2025-03-05
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

A1CCY

A1CCY
Name:	1-{(2R)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one
Formula:	C27 H29 F3 N2 O
SMILES:	CC(C)(C)c1ccc(cc1)C(NC1Cc2ccccc2C1)CN1C=CC=C(C1=O)C(F)(F)F
InChi:	InChI=1S/C27H29F3N2O/c1-26(2,3)21-12-10-18(11-13-21)24(31-22-15-19-7-4-5-8-20(19)16-22)17-32-14-6-9-23(25(32)33)27(28,29)30/h4-14,22,24,31H,15-17H2,1-3H3/t24-/m0/s1
Definition date:	2025-05-15
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	1-{(2R)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one

A1CCZ

A1CCZ
Name:	1-{(2S)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one
Formula:	C27 H29 F3 N2 O
SMILES:	CC(C)(C)c1ccc(cc1)C(NC1Cc2ccccc2C1)CN1C=CC=C(C1=O)C(F)(F)F
InChi:	InChI=1S/C27H29F3N2O/c1-26(2,3)21-12-10-18(11-13-21)24(31-22-15-19-7-4-5-8-20(19)16-22)17-32-14-6-9-23(25(32)33)27(28,29)30/h4-14,22,24,31H,15-17H2,1-3H3/t24-/m1/s1
Definition date:	2025-05-15
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	1-{(2S)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one

A1CEA

A1CEA
Name:	N-{4-(3-chloro-4-fluoroanilino)-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide
Formula:	C24 H25 Cl F N5 O3
SMILES:	Fc1ccc(cc1Cl)Nc1ncnc2cc(OCCCN3CCOCC3)c(NC(=O)C=C)cc21
InChi:	InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
Definition date:	2025-05-27
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	N-{4-(3-chloro-4-fluoroanilino)-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide

A1CF5

A1CF5
Name:	3,3,3-trifluoro-2,2-dihydroxy-1-(4-methoxyphenyl)propan-1-one
Formula:	C10 H9 F3 O4
SMILES:	COc1ccc(cc1)C(=O)C(O)(O)C(F)(F)F
InChi:	InChI=1S/C10H9F3O4/c1-17-7-4-2-6(3-5-7)8(14)9(15,16)10(11,12)13/h2-5,15-16H,1H3
Definition date:	2025-06-10
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	3,3,3-trifluoro-2,2-dihydroxy-1-(4-methoxyphenyl)propan-1-one

A1CH6

A1CH6
Name:	(5M)-5-{2-[(1S)-2-(3,5-difluorophenyl)-1-{2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamido}ethyl]pyridin-3-yl}-2-fluorobenzamide
Formula:	C30 H21 F8 N5 O2
SMILES:	NC(=O)c1cc(ccc1F)c1cccnc1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2c1C(F)(F)C1CC12)C(F)(F)F
InChi:	InChI=1S/C30H21F8N5O2/c31-15-6-13(7-16(32)10-15)8-22(25-17(2-1-5-40-25)14-3-4-21(33)19(9-14)28(39)45)41-23(44)12-43-27-24(26(42-43)30(36,37)38)18-11-20(18)29(27,34)35/h1-7,9-10,18,20,22H,8,11-12H2,(H2,39,45)(H,41,44)/t18-,20+,22-/m0/s1
Definition date:	2025-07-09
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	(5M)-5-{2-[(1S)-2-(3,5-difluorophenyl)-1-{2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamido}ethyl]pyridin-3-yl}-2-fluorobenzamide

A1CH7

A1CH7
Name:	N-methyl-N-phenyl-3-(pyridin-3-yl)-N~2~-{[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}-L-alaninamide
Formula:	C25 H26 F3 N5 O2
SMILES:	CN(c1ccccc1)C(=O)C(Cc1cccnc1)NC(=O)Cn1nc(c2CCCCc21)C(F)(F)F
InChi:	InChI=1S/C25H26F3N5O2/c1-32(18-9-3-2-4-10-18)24(35)20(14-17-8-7-13-29-15-17)30-22(34)16-33-21-12-6-5-11-19(21)23(31-33)25(26,27)28/h2-4,7-10,13,15,20H,5-6,11-12,14,16H2,1H3,(H,30,34)/t20-/m0/s1
Definition date:	2025-07-09
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	N-methyl-N-phenyl-3-(pyridin-3-yl)-N~2~-{[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}-L-alaninamide

A1CMH

A1CMH
Name:	17-chloranyl-33-fluoranyl-5,13,14,22-tetramethyl-28-oxa-9-thia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid
Formula:	C36 H35 Cl F N5 O3 S
SMILES:	O=C(O)c1c(C)c2c3c(Cl)ccc2n1CCCOc1cc(cc2cc(F)ccc21)CCc1cc(CSCc2nn(C)c(C)c32)nn1C
InChi:	InChI=1S/C36H35ClFN5O3S/c1-20-32-30-11-10-28(37)34(32)33-21(2)41(3)40-29(33)19-47-18-25-17-26(42(4)39-25)8-6-22-14-23-16-24(38)7-9-27(23)31(15-22)46-13-5-12-43(30)35(20)36(44)45/h7,9-11,14-17H,5-6,8,12-13,18-19H2,1-4H3,(H,44,45)
Definition date:	2025-08-06
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	(15M,24S)-17-chloro-33-fluoro-5,13,14,22-tetramethyl-28-oxa-9-thia-5,6,12,13,24-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid (non-preferred name)

A1CMI

A1CMI
Name:	17-chloranyl-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid
Formula:	C35 H34 Cl N5 O3 S2
SMILES:	O=C(O)c1c(C)c2c3c(Cl)ccc2n1CCCOc1cc(cc2ccccc21)SCc1cc(CSCc2nn(C)c(C)c32)nn1C
InChi:	InChI=1S/C35H34ClN5O3S2/c1-20-31-29-11-10-27(36)33(31)32-21(2)39(3)38-28(32)19-45-17-23-15-24(40(4)37-23)18-46-25-14-22-8-5-6-9-26(22)30(16-25)44-13-7-12-41(29)34(20)35(42)43/h5-6,8-11,14-16H,7,12-13,17-19H2,1-4H3,(H,42,43)
Definition date:	2025-08-06
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	(15M,24S)-17-chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,24-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid (non-preferred name)

A1EC0

A1EC0
Name:	5-[[(6-ethoxy-2~{H}-chromen-3-yl)carbonylamino]methyl]-2-methyl-furan-3-carboxylic acid
Formula:	C19 H19 N O6
SMILES:	CCOc1ccc2OCC(=Cc2c1)C(=O)NCc3oc(C)c(c3)C(O)=O
InChi:	InChI=1S/C19H19NO6/c1-3-24-14-4-5-17-12(7-14)6-13(10-25-17)18(21)20-9-15-8-16(19(22)23)11(2)26-15/h4-8H,3,9-10H2,1-2H3,(H,20,21)(H,22,23)
Definition date:	2024-10-04
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	5-[[(6-ethoxy-2~{H}-chromen-3-yl)carbonylamino]methyl]-2-methyl-furan-3-carboxylic acid

A1EHB

A1EHB
Name:	(2,4-dimethyl-1,3-thiazol-5-yl)methanol
Formula:	C6 H9 N O S
SMILES:	Cc1sc(CO)c(C)n1
InChi:	InChI=1S/C6H9NOS/c1-4-6(3-8)9-5(2)7-4/h8H,3H2,1-2H3
Definition date:	2024-12-10
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	(2,4-dimethyl-1,3-thiazol-5-yl)methanol

A1EHE

A1EHE
Name:	quinolin-5-amine
Formula:	C9 H8 N2
SMILES:	Nc1cccc2ncccc12
InChi:	InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2
Definition date:	2024-12-10
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	quinolin-5-amine

A1EMC

A1EMC
Name:	2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol
Formula:	C31 H42 O2
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1c(C)c(O)c2ccccc2c1O
InChi:	InChI=1S/C31H42O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20,32-33H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
Synonyms:	Menahydroquinone-4
Definition date:	2025-02-21
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol

A1EO9

A1EO9
Name:	Forsythiaside A
Formula:	C29 H36 O15
SMILES:	C[CH]1O[CH](OC[CH]2O[CH](OCCc3ccc(O)c(O)c3)[CH](O)[CH](O)[CH]2OC(=O)C=Cc4ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1
Synonyms:	[(2R,3S,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
Definition date:	2025-04-17
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-[[(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-3-yl] (~{E})-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

A1ER6

A1ER6
Name:	adenosylcobinamide-GDP
Formula:	C68 H93 Co N21 O21 P2
SMILES:	C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N]3C1=C(C)C4=NC(=CC5=[N+]6C(=C(C)C7=[N+]([C]2(C)[C](C)(CC(N)=O)[CH]7CCC(N)=O)[Co]36C[CH]8O[CH]([CH](O)[CH]8O)n9cnc%10c(N)ncnc9%10)[C](C)(CC(N)=O)[CH]5C=CC(N)=O)C(C)(C)[CH]4C=CC(N)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]%11O[CH]([CH](O)[CH]%11O)n%12cnc%13C(=O)NC(=Nc%12%13)N
InChi:	InChI=1S/C58H82N16O18P2.C10H12N5O3.Co/c1-25(91-94(87,88)92-93(85,86)89-23-33-45(82)46(83)52(90-33)74-24-67-44-50(74)71-53(65)72-51(44)84)22-66-41(81)16-17-55(6)31(18-38(62)78)49-58(9)57(8,21-40(64)80)30(12-15-37(61)77)43(73-58)27(3)48-56(7,20-39(63)79)28(10-13-35(59)75)32(68-48)19-34-54(4,5)29(11-14-36(60)76)42(69-34)26(2)47(55)70-49
Definition date:	2025-06-20
Last modified:	2025-10-03
Release date:	2025-10-08

A1I44

A1I44
Name:	(2~{R},3~{S},6~{R},7~{S})-7-[(1~{S})-1-azanyl-2-phenyl-ethyl]-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepane-3-carbaldehyde
Formula:	C16 H24 N2 O4
SMILES:	C[CH]1O[C](O)([CH](N)Cc2ccccc2)[C](C)(O)CN[CH]1C=O
InChi:	InChI=1S/C16H24N2O4/c1-11-13(9-19)18-10-15(2,20)16(21,22-11)14(17)8-12-6-4-3-5-7-12/h3-7,9,11,13-14,18,20-21H,8,10,17H2,1-2H3/t11-,13-,14+,15-,16+/m1/s1
Definition date:	2025-03-03
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	(2~{R},3~{S},6~{R},7~{S})-7-[(1~{S})-1-azanyl-2-phenyl-ethyl]-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepane-3-carbaldehyde

A1I48

A1I48
Name:	(2~{S},3~{R})-2-azanyl-3-[(1~{R},2~{S})-2-azanyl-4-methyl-1-oxidanyl-pentoxy]butanal
Formula:	C10 H22 N2 O4
SMILES:	CC(C)C[CH](N)[CH](O)O[CH](C)[CH](N)C(O)=O
InChi:	InChI=1S/C10H22N2O4/c1-5(2)4-7(11)10(15)16-6(3)8(12)9(13)14/h5-8,10,15H,4,11-12H2,1-3H3,(H,13,14)/t6-,7+,8+,10-/m1/s1
Definition date:	2025-03-03
Last modified:	2025-10-03
Release date:	2025-10-08
Identifier:	(2~{S},3~{R})-2-azanyl-3-[(1~{R},2~{S})-2-azanyl-4-methyl-1-oxidanyl-pentoxy]butanoic acid

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243083

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