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Y56
Y56
Name:4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide
Formula:C34 H36 N8 O2
SMILES:CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N1CCC(C1)Nc1nccc(n1)c1c2ccccn2nc1c1ccccc1
InChi:InChI=1S/C34H36N8O2/c1-40(2)20-8-12-30(43)36-26-15-13-25(14-16-26)33(44)41-22-18-27(23-41)37-34-35-19-17-28(38-34)31-29-11-6-7-21-42(29)39-32(31)24-9-4-3-5-10-24/h3-7,9-11,13-17,19,21,27H,8,12,18,20,22-23H2,1-2H3,(H,36,43)(H,35,37,38)/t27-/m0/s1
Definition date:2021-10-12
Last modified:2024-09-27
Release date:2023-06-28
Identifier:4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide
LYV
LYV
Name:O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide
Formula:C9 H19 N4 O8 P
SMILES:O=P(OCC(C(=O)NCC(=O)NCCC(C(=O)O)N)N)(O)O
InChi:InChI=1S/C9H19N4O8P/c10-5(9(16)17)1-2-12-7(14)3-13-8(15)6(11)4-21-22(18,19)20/h5-6H,1-4,10-11H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)/t5-,6-/m0/s1
Definition date:2013-12-06
Last modified:2024-09-27
Release date:2014-12-03
Identifier:O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide
KCR
KCR
Name:N-6-crotonyl-L-lysine
Formula:C10 H18 N2 O3
SMILES:NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C
InChi:InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1
Definition date:2015-03-26
Last modified:2024-09-27
Release date:2015-09-16
Identifier:N~6~-[(2E)-but-2-enoyl]-L-lysine
SHU
SHU
Name:4,6-DIOXOHEPTANOIC ACID
Formula:C7 H10 O4
SMILES:O=C(CC(=O)C)CCC(=O)O
InChi:InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
Synonyms:SUCCINYLACETONE
Definition date:2001-07-09
Last modified:2024-09-27
Identifier:4,6-dioxoheptanoic acid
YW0
YW0
Name:methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Formula:C20 H27 N3 O4
SMILES:C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O
InChi:InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26)
Definition date:2023-06-22
Last modified:2024-09-27
Release date:2024-03-06
Identifier:methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Y57
Y57
Name:N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine
Formula:C17 H28 N2 O2
SMILES:C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1
InChi:InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1
Definition date:2021-02-04
Last modified:2024-09-27
Release date:2021-12-15
Identifier:N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine
VP1
VP1
Name:Fluorenylmethyloxycarbonyl chloride
Formula:C15 H11 Cl O2
SMILES:ClC(=O)OCC1c2ccccc2c3ccccc13
InChi:InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
Definition date:2023-03-22
Last modified:2024-09-27
Release date:2024-02-21
Identifier:9~{H}-fluoren-9-ylmethyl carbonochloridate
KRT
KRT
Name:(~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid
Formula:C9 H9 B O4
SMILES:OB(O)c1cccc(C=CC(O)=O)c1
InChi:InChI=1S/C9H9BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6,13-14H,(H,11,12)/b5-4+
Definition date:2019-06-19
Last modified:2024-09-27
Release date:2019-10-09
Identifier:(~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid
OF9
OF9
Name:(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide
Formula:C28 H32 F4 N4 O4
SMILES:O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CC(F)(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4ccccn4
InChi:InChI=1S/C28H32F4N4O4/c29-27(30)11-9-19(10-12-27)26(40)36-17-28(31,32)15-22(36)24(38)35-21(14-18-6-2-1-3-7-18)23(37)25(39)34-16-20-8-4-5-13-33-20/h1-8,13,19,21-23,37H,9-12,14-17H2,(H,34,39)(H,35,38)/t21-,22-,23+/m1/s1
Definition date:2023-01-31
Last modified:2024-09-27
Release date:2023-08-16
Identifier:(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide
SHV
SHV
Name:HEPTANOIC ACID
Formula:C7 H14 O2
SMILES:O=C(O)CCCCCC
InChi:InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
Definition date:2004-04-19
Last modified:2024-09-27
Identifier:heptanoic acid
S2B
S2B
Name:3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
Formula:C16 H12 B2 O8
SMILES:O[B-]1(O)OC(=O)c2cc(C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)ccc12
InChi:InChI=1S/C16H12B2O8/c19-15-11-7-9(3-5-13(11)17(21,22)25-15)1-2-10-4-6-14-12(8-10)16(20)26-18(14,23)24/h1-8,21-24H/q-2/b2-1+
Definition date:2019-08-20
Last modified:2024-09-27
Release date:2021-01-27
Identifier:3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
SHW
SHW
Name:S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate
Formula:C19 H37 N2 O9 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(O)CCCCC
InChi:InChI=1S/C19H37N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h14,17,22,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t14-,17-/m1/s1
Definition date:2009-10-15
Last modified:2024-09-27
Identifier:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxyoctanethioate
LYX
LYX
Name:N''-(2-COENZYME A)-PROPANOYL-LYSINE
Formula:C30 H52 N9 O19 P3 S
SMILES:O=C(O)C(N)CCCCNC(=O)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
InChi:InChI=1S/C30H52N9O19P3S/c1-16(26(43)34-8-5-4-6-17(31)29(45)46)62-11-10-33-19(40)7-9-35-27(44)23(42)30(2,3)13-55-61(52,53)58-60(50,51)54-12-18-22(57-59(47,48)49)21(41)28(56-18)39-15-38-20-24(32)36-14-37-25(20)39/h14-18,21-23,28,41-42H,4-13,31H2,1-3H3,(H,33,40)(H,34,43)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/t16-,17-,18+,21+,22+,23-,28+/m0/s1
Definition date:2002-07-22
Last modified:2024-09-27
Identifier:(3S,5R,9R,19S,26S)-26-amino-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)
VAH
VAH
Name:(3R)-3-hydroxy-L-norvaline
Formula:C5 H11 N O3
SMILES:O=C(O)C(N)C(O)CC
InChi:InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m1/s1
Synonyms:L-3-Hydroxynorvaline
Definition date:2010-06-16
Last modified:2024-09-27
Identifier:(3R)-3-hydroxy-L-norvaline
SVV
SVV
Name:O-[(S)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE
Formula:C3 H9 N2 O5 P
SMILES:O=P(O)(OCC(C(=O)O)N)N
InChi:InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1
Definition date:2007-02-13
Last modified:2024-09-27
Identifier:O-[(S)-amino(hydroxy)phosphoryl]-L-serine
MDL
MDL
Name:[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINE
Formula:C28 H29 F5 N4 O3
SMILES:O=C(NC(C(=O)C(F)(F)C(F)(F)F)Cc2c1ccccc1nc2)C4N(C(=O)C(NC)Cc3ccccc3)CCC4
InChi:InChI=1S/C28H29F5N4O3/c1-34-22(14-17-8-3-2-4-9-17)26(40)37-13-7-12-23(37)25(39)36-21(24(38)27(29,30)28(31,32)33)15-18-16-35-20-11-6-5-10-19(18)20/h2-6,8-11,16,21-23,34-35H,7,12-15H2,1H3,(H,36,39)/t21-,22+,23-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N-methyl-D-phenylalanyl-N-[(2S)-4,4,5,5,5-pentafluoro-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-L-prolinamide
SVW
SVW
Name:O-[(R)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE
Formula:C3 H9 N2 O5 P
SMILES:O=P(O)(OCC(C(=O)O)N)N
InChi:InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1
Definition date:2007-02-13
Last modified:2024-09-27
Identifier:O-[(R)-amino(hydroxy)phosphoryl]-L-serine
4BF
4BF
Name:4-BROMO-L-PHENYLALANINE
Formula:C9 H10 Br N O2
SMILES:Brc1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Synonyms:P-BROMO-L-PHENYLALANINE
Definition date:2005-08-22
Last modified:2024-09-27
Identifier:4-bromo-L-phenylalanine
NL7
NL7
Name:4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:C12 H12 N2 O6 S2
SMILES:c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O
InChi:InChI=1S/C12H12N2O6S2/c1-20-10-6-9(7-13-8-10)14-21(15,16)11-2-4-12(5-3-11)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
Definition date:2019-05-20
Last modified:2024-09-27
Release date:2020-03-04
Identifier:4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
VAI
VAI
Name:(2S)-2-amino-3-methylbutane-1,1-diol
Formula:C5 H13 N O2
SMILES:OC(O)C(N)C(C)C
InChi:InChI=1S/C5H13NO2/c1-3(2)4(6)5(7)8/h3-5,7-8H,6H2,1-2H3/t4-/m0/s1
Definition date:2011-02-01
Last modified:2024-09-27
Identifier:(2S)-2-amino-3-methylbutane-1,1-diol
S2D
S2D
Name:N-BENZOYL-D-ALANINE
Formula:C10 H11 N O3
SMILES:O=C(NC(C(=O)O)C)c1ccccc1
InChi:InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
Definition date:2006-12-23
Last modified:2024-09-27
Identifier:N-benzoyl-D-alanine
YIL
YIL
Name:N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide
Formula:C30 H41 N7 O5 S
SMILES:CC(=O)NCc1cccc(c1)CC(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(O)(O)c1nc2ccccc2s1
InChi:InChI=1S/C30H41N7O5S/c1-18(2)14-23(35-26(39)16-20-8-6-9-21(15-20)17-34-19(3)38)27(40)37-25(12-7-13-33-29(31)32)30(41,42)28-36-22-10-4-5-11-24(22)43-28/h4-6,8-11,15,18,23,25,41-42H,7,12-14,16-17H2,1-3H3,(H,34,38)(H,35,39)(H,37,40)(H4,31,32,33)/t23-,25-/m0/s1
Definition date:2023-02-06
Last modified:2024-09-27
Release date:2024-07-10
Identifier:N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide
U3X
U3X
Name:4-[(cyclohexylmethyl)amino]-L-phenylalanine
Formula:C16 H24 N2 O2
SMILES:O=C(O)C(N)Cc2ccc(NCC1CCCCC1)cc2
InChi:InChI=1S/C16H24N2O2/c17-15(16(19)20)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h6-9,13,15,18H,1-5,10-11,17H2,(H,19,20)/t15-/m0/s1
Definition date:2013-05-06
Last modified:2024-09-27
Release date:2013-06-19
Identifier:4-[(cyclohexylmethyl)amino]-L-phenylalanine
LYZ
LYZ
Name:5-HYDROXYLYSINE
Formula:C6 H14 N2 O3
SMILES:O=C(O)C(N)CCC(O)CN
InChi:InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(5R)-5-hydroxy-L-lysine
SVX
SVX
Name:O-[(R)-ETHOXY(METHYL)PHOSPHORYL]-L-SERINE
Formula:C6 H14 N O5 P
SMILES:O=P(OCC)(OCC(N)C(=O)O)C
InChi:InChI=1S/C6H14NO5P/c1-3-11-13(2,10)12-4-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)/t5-,13+/m0/s1
Definition date:2007-02-13
Last modified:2024-09-27
Identifier:O-[(R)-ethoxy(methyl)phosphoryl]-L-serine

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