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YMA
YMA
Name:7,10,13-TRI(CARBOXYMETHYL)-5,15-DIOXO-4,7,10,13,16-PENTAAZA-1,19-DITHIANONADECANE
Formula:C18 H33 N5 O8 S2
SMILES:O=C(NCCS)CN(CCN(CC(=O)O)CCN(CC(=O)NCCS)CC(=O)O)CC(=O)O
InChi:InChI=1S/C18H33N5O8S2/c24-14(19-1-7-32)9-22(12-17(28)29)5-3-21(11-16(26)27)4-6-23(13-18(30)31)10-15(25)20-2-8-33/h32-33H,1-13H2,(H,19,24)(H,20,25)(H,26,27)(H,28,29)(H,30,31)
Definition date:2004-10-14
Last modified:2024-09-27
Identifier:N,N-bis{2-[(carboxymethyl){2-oxo-2-[(2-sulfanylethyl)amino]ethyl}amino]ethyl}glycine
FL3
FL3
Name:1-naphthalen-2-ylethanone
Formula:C12 H10 O
SMILES:CC(=O)c1ccc2ccccc2c1
InChi:InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
Definition date:2020-06-01
Last modified:2024-09-27
Release date:2020-12-30
Identifier:1-naphthalen-2-ylethanone
NOT
NOT
Name:6-azido-L-norleucine
Formula:C6 H12 N4 O2
SMILES:[N-]=[N+]=N/CCCCC(N)C(=O)O
InChi:InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1
Synonyms:AZIDONORLEUCINE
Definition date:2009-05-08
Last modified:2024-09-27
Identifier:6-azido-L-norleucine
NOU
NOU
Name:(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid
Formula:C9 H13 N3 O2
SMILES:O=C(O)C(N)CCNc1ccccn1
InChi:InChI=1S/C9H13N3O2/c10-7(9(13)14)4-6-12-8-3-1-2-5-11-8/h1-3,5,7H,4,6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
Definition date:2022-04-07
Last modified:2024-09-27
Release date:2023-08-30
Identifier:(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid
FL5
FL5
Name:12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium
Formula:C25 H31 N8
SMILES:CCn1nnc2c3ccc(cc3c4n(CC)nnc4c5ccc(cc5c12)N(C)C)[N+](C)(C)C
InChi:InChI=1S/C25H31N8/c1-8-31-24-20-14-16(30(3)4)10-12-18(20)22-25(32(9-2)29-26-22)21-15-17(33(5,6)7)11-13-19(21)23(24)27-28-31/h10-15H,8-9H2,1-7H3/q+1/b22-18+,23-19+,24-20+,25-21+
Definition date:2018-07-19
Last modified:2024-09-27
Release date:2019-07-31
Z3E
Z3E
Name:O-benzyl-L-threonine
Formula:C11 H15 N O3
SMILES:O=C(O)C(N)C(OCc1ccccc1)C
InChi:InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1
Definition date:2010-10-27
Last modified:2024-09-27
Identifier:O-benzyl-L-threonine
YMD
YMD
Name:(1R,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C22 H39 N3 O8 S
SMILES:CC(C)CC(NC(=O)OC1CCC(C)(C)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C22H39N3O8S/c1-13(2)11-16(25-21(29)33-15-5-8-22(3,4)9-6-15)19(27)24-17(20(28)34(30,31)32)12-14-7-10-23-18(14)26/h13-17,20,28H,5-12H2,1-4H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20+/m0/s1
Definition date:2021-03-12
Last modified:2024-09-27
Release date:2021-03-24
Identifier:(1R,2S)-2-[(N-{[(4,4-dimethylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
NOW
NOW
Name:Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide
Formula:C21 H29 N5 O2
SMILES:O=C(c1cc(nn1C)C(C)(C)C)NC(C(=O)NCC=[N@H])Cc2cccc(c2)C
InChi:InChI=1S/C21H29N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-9,11,13,16,22H,10,12H2,1-5H3,(H,23,27)(H,24,28)/b22-9+/t16-/m0/s1
Definition date:2009-05-22
Last modified:2024-09-27
Identifier:Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide
YMG
YMG
Name:(1S,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C22 H39 N3 O8 S
SMILES:CC(C)CC(NC(=O)OC1CCC(C)(C)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C22H39N3O8S/c1-13(2)11-16(25-21(29)33-15-5-8-22(3,4)9-6-15)19(27)24-17(20(28)34(30,31)32)12-14-7-10-23-18(14)26/h13-17,20,28H,5-12H2,1-4H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20-/m0/s1
Definition date:2021-03-12
Last modified:2024-09-27
Release date:2021-03-24
Identifier:(1S,2S)-2-[(N-{[(4,4-dimethylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
FLA
FLA
Name:TRIFLUOROALANINE
Formula:C3 H4 F3 N O2
SMILES:FC(F)(F)C(N)C(=O)O
InChi:InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1
Definition date:1999-07-19
Last modified:2024-09-27
Identifier:3,3,3-trifluoro-D-alanine
FLB
FLB
Name:1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene
Formula:C12 H12 F6 O2
SMILES:FC(F)(F)c1cc(OCCOCC)cc(c1)C(F)(F)F
InChi:InChI=1S/C12H12F6O2/c1-2-19-3-4-20-10-6-8(11(13,14)15)5-9(7-10)12(16,17)18/h5-7H,2-4H2,1H3
Definition date:2013-02-19
Last modified:2024-09-27
Release date:2013-03-13
Identifier:1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene
YMJ
YMJ
Name:(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C23 H41 N3 O8 S
SMILES:CC(C)CC(NC(=O)OC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,16-,17-,18-,19-,22+/m0/s1
Definition date:2021-03-12
Last modified:2024-09-27
Release date:2021-03-24
Identifier:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
YML
YML
Name:[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID
Formula:C11 H23 O5 P
SMILES:O=C(C(C(O)C(C)CC(C)CO)C)CP(=O)O
InChi:InChI=1S/C11H23O5P/c1-7(5-12)4-8(2)11(14)9(3)10(13)6-17(15)16/h7-9,11-12,14,17H,4-6H2,1-3H3,(H,15,16)/t7-,8+,9+,11+/m1/s1
Definition date:2006-06-26
Last modified:2024-09-27
Identifier:(R)-[(3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphinic acid
YMM
YMM
Name:(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C23 H41 N3 O8 S
SMILES:CC(C)CC(NC(=O)OC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,16-,17-,18-,19-,22-/m0/s1
Definition date:2021-03-12
Last modified:2024-09-27
Release date:2021-03-24
Identifier:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
Z3V
Z3V
Name:2-(ethylamino)ethane-1-thiol
Formula:C4 H11 N S
SMILES:CCNCCS
InChi:InChI=1S/C4H11NS/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
Definition date:2021-04-08
Last modified:2024-09-27
Release date:2021-11-24
Identifier:2-(ethylamino)ethane-1-thiol
Z41
Z41
Name:(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
Formula:C35 H68 O5
SMILES:O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChi:InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
Definition date:2012-12-17
Last modified:2024-09-27
Release date:2021-04-07
Identifier:(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
ZOY
ZOY
Name:N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
Formula:C21 H35 N3 O2
SMILES:NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1
InChi:InChI=1S/C21H35N3O2/c22-19(21(23)26)15-11-17-24-20(25)16-10-5-3-1-2-4-7-12-18-13-8-6-9-14-18/h6,8-9,13-14,19H,1-5,7,10-12,15-17,22H2,(H2,23,26)(H,24,25)/t19-/m0/s1
Definition date:2021-05-18
Last modified:2024-09-27
Release date:2022-03-30
Identifier:N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
YMS
YMS
Name:(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C26 H39 N3 O8 S
SMILES:CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25+/m0/s1
Definition date:2021-03-12
Last modified:2024-09-27
Release date:2021-03-24
Identifier:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
NPB
NPB
Name:3-NITROPHENYLBORONIC ACID
Formula:C6 H6 B N O4
SMILES:[O-][N+](=O)c1cc(B(O)O)ccc1
InChi:InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
Definition date:2001-11-19
Last modified:2024-09-27
Identifier:(3-nitrophenyl)boronic acid
YMV
YMV
Name:(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C26 H39 N3 O8 S
SMILES:CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25-/m0/s1
Definition date:2021-03-12
Last modified:2024-09-27
Release date:2021-03-24
Identifier:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
YMY
YMY
Name:(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C24 H43 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H43N3O8S/c1-4-5-16-6-8-17(9-7-16)14-35-24(31)27-19(12-15(2)3)22(29)26-20(23(30)36(32,33)34)13-18-10-11-25-21(18)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,17-,18-,19-,20-,23+/m0/s1
Definition date:2021-03-12
Last modified:2024-09-27
Release date:2021-03-24
Identifier:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
NPH
NPH
Name:CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE
Formula:C17 H16 N4 O3 S
SMILES:O=C(O)C(N)CSCC(=O)Nc2cc1cccnc1c3ncccc23
InChi:InChI=1S/C17H16N4O3S/c18-12(17(23)24)8-25-9-14(22)21-13-7-10-3-1-5-19-15(10)16-11(13)4-2-6-20-16/h1-7,12H,8-9,18H2,(H,21,22)(H,23,24)/t12-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:S-[2-oxo-2-(1,10-phenanthrolin-5-ylamino)ethyl]-L-cysteine
FLT
FLT
Name:FLUOROMALONYL TYROSINE
Formula:C12 H12 F N O7
SMILES:FC(Oc1ccc(cc1)CC(C(=O)O)N)(C(=O)O)C(=O)O
InChi:InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1
Definition date:1999-08-25
Last modified:2024-09-27
Identifier:{4-[(2S)-2-amino-2-carboxyethyl]phenoxy}(fluoro)propanedioic acid
YN1
YN1
Name:(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C24 H43 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H43N3O8S/c1-4-5-16-6-8-17(9-7-16)14-35-24(31)27-19(12-15(2)3)22(29)26-20(23(30)36(32,33)34)13-18-10-11-25-21(18)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,17-,18-,19-,20-,23-/m0/s1
Definition date:2021-03-12
Last modified:2024-09-27
Release date:2021-03-24
Identifier:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
Z50
Z50
Name:3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid
Formula:C16 H22 N4 O2 S2
SMILES:Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2
InChi:InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22)
Synonyms:3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid
Definition date:2024-01-22
Last modified:2024-09-27
Release date:2024-04-24
Identifier:3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid

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