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0E5

0E5
Name:	(2S,3R)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid
Formula:	C6 H13 N O3
SMILES:	O=C(O)C(N)C(O)(C)CC
InChi:	InChI=1S/C6H13NO3/c1-3-6(2,10)4(7)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6?/m1/s1
Definition date:	2011-12-22
Last modified:	2024-09-27
Identifier:	(2S,3S)-2-amino-3-hydroxy-3-methylpentanoic acid (non-preferred name)

0E6

0E6
Name:	amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium
Formula:	C25 H33 Cl N5 O5
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)CCl)COCc2ccccc2)CCCNC(=[NH2+])N
InChi:	InChI=1S/C25H32ClN5O5/c26-14-22(32)21(17-35-15-18-8-3-1-4-9-18)30-23(33)20(12-7-13-29-24(27)28)31-25(34)36-16-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H,30,33)(H,31,34)(H4,27,28,29)/p+1/t20-,21-/m0/s1
Synonyms:	benzyloxycarbonyl-Arg-Ser(O-Bzl) chloromethylketone
Definition date:	2008-11-07
Last modified:	2024-09-27
Identifier:	amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}methaniminium

0EA

0EA
Name:	(betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine
Formula:	C10 H13 N O5
SMILES:	O=C(O)C(NC)C(O)c1cc(O)c(O)cc1
InChi:	InChI=1S/C10H13NO5/c1-11-8(10(15)16)9(14)5-2-3-6(12)7(13)4-5/h2-4,8-9,11-14H,1H3,(H,15,16)/t8-,9+/m0/s1
Definition date:	2011-12-22
Last modified:	2024-09-27
Identifier:	(betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine

0EF

0EF
Name:	N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(carboxyamino)-2-phenylethyl]-L-prolinamide
Formula:	C22 H32 N4 O6
SMILES:	O=C(NC(NC(=O)O)Cc1ccccc1)C2N(C(=O)C(NC(=O)OC(C)(C)C)C)CCC2
InChi:	InChI=1S/C22H32N4O6/c1-14(23-21(31)32-22(2,3)4)19(28)26-12-8-11-16(26)18(27)24-17(25-20(29)30)13-15-9-6-5-7-10-15/h5-7,9-10,14,16-17,25H,8,11-13H2,1-4H3,(H,23,31)(H,24,27)(H,29,30)/t14-,16-,17+/m0/s1
Synonyms:	N-(TERT-BUTOXYCARBONYL-ALANYL-PROLYL-PHENYLALANYL)-O-BENZOYL HYDROXYLAMINE
Definition date:	2008-10-27
Last modified:	2024-09-27
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(carboxyamino)-2-phenylethyl]-L-prolinamide

0EG

0EG
Name:	N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide
Formula:	C17 H32 B N3 O6
SMILES:	O=C(NC(B(O)O)C(C)C)C1N(C(=O)C(NC(=O)OC(C)(C)C)C)CCC1
InChi:	InChI=1S/C17H32BN3O6/c1-10(2)13(18(25)26)20-14(22)12-8-7-9-21(12)15(23)11(3)19-16(24)27-17(4,5)6/h10-13,25-26H,7-9H2,1-6H3,(H,19,24)(H,20,22)/t11-,12-,13-/m0/s1
Synonyms:	N-tert-butyloxycarbonylalanylprolylvaline boronic acid
Definition date:	2008-09-14
Last modified:	2024-09-27
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide

JIW

JIW
Name:	beta-D-manno-configured cyclophellitol aziridine, reacted form
Formula:	C7 H15 N O5
SMILES:	N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1
Synonyms:	(1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Definition date:	2022-04-28
Last modified:	2024-09-27
Release date:	2022-05-18
Identifier:	(1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

0EH

0EH
Name:	(2R)-2-amino-2-methylnonanoic acid
Formula:	C10 H21 N O2
SMILES:	O=C(O)C(N)(CCCCCCC)C
InChi:	InChI=1S/C10H21NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1
Definition date:	2011-12-26
Last modified:	2024-09-27
Identifier:	(2R)-2-amino-2-methylnonanoic acid

JIZ

JIZ
Name:	(4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Formula:	C18 H18 N6 O3 S4
SMILES:	C[CH]1NC(=O)c2csc(n2)[CH](C)NC(=O)c3csc(n3)[CH](CS)NC(=O)c4csc1n4
InChi:	InChI=1S/C18H18N6O3S4/c1-7-16-22-10(4-29-16)13(25)19-8(2)17-23-12(5-30-17)15(27)21-9(3-28)18-24-11(6-31-18)14(26)20-7/h4-9,28H,3H2,1-2H3,(H,19,25)(H,20,26)(H,21,27)/t7-,8-,9-/m0/s1
Definition date:	2022-04-28
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	(4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione

JJ9

JJ9
Name:	N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide
Formula:	C15 H15 N3 O3 S
SMILES:	CC(=O)NCCNC(=O)c1ccc(cc1)c2scc(C=O)n2
InChi:	InChI=1S/C15H15N3O3S/c1-10(20)16-6-7-17-14(21)11-2-4-12(5-3-11)15-18-13(8-19)9-22-15/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,17,21)
Definition date:	2022-08-18
Last modified:	2024-09-27
Release date:	2023-11-15
Identifier:	~{N}-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide

JJC

JJC
Name:	N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide
Formula:	C27 H23 Cl N4 O4
SMILES:	O=C(N(C(c1cccnc1)C(=O)NCc1ccccc1)c1ccc(NC(=O)CCl)cc1)c1ccco1
InChi:	InChI=1S/C27H23ClN4O4/c28-16-24(33)31-21-10-12-22(13-11-21)32(27(35)23-9-5-15-36-23)25(20-8-4-14-29-18-20)26(34)30-17-19-6-2-1-3-7-19/h1-15,18,25H,16-17H2,(H,30,34)(H,31,33)/t25-/m1/s1
Definition date:	2023-08-07
Last modified:	2024-09-27
Release date:	2024-01-24
Identifier:	N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide

0F0

0F0
Name:	3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
Formula:	C28 H29 N7 O2
SMILES:	O=C(Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nc(ccn3)c4cccnc4)CCCN(C)C
InChi:	InChI=1S/C28H29N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-4,6-8,10-16,18-19H,5,9,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)
Definition date:	2011-12-28
Last modified:	2024-09-27
Identifier:	3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

JJJ

JJJ
Name:	S-(pyridin-3-ylcarbonyl)-L-cysteine
Formula:	C9 H10 N2 O3 S
SMILES:	O=C(O)C(N)CSC(=O)c1cccnc1
InChi:	InChI=1S/C9H10N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2010-08-06
Last modified:	2024-09-27
Identifier:	S-(pyridin-3-ylcarbonyl)-L-cysteine

JJK

JJK
Name:	S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine
Formula:	C9 H12 N2 O3 S
SMILES:	O=C(O)C(N)CSC(O)c1cccnc1
InChi:	InChI=1S/C9H12N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7,9,14H,5,10H2,(H,12,13)/t7-,9-/m0/s1
Definition date:	2010-08-06
Last modified:	2024-09-27
Identifier:	S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine

0F7

0F7
Name:	N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide
Formula:	C25 H35 F2 N3 O7
SMILES:	O=C(O)C(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C)CC(F)F
InChi:	InChI=1S/C25H35F2N3O7/c1-5-15(4)20(30-25(36)37-13-16-9-7-6-8-10-16)23(33)29-18(11-14(2)3)22(32)28-17(12-19(26)27)21(31)24(34)35/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,28,32)(H,29,33)(H,30,36)(H,34,35)/t15-,17-,18-,20-/m0/s1
Definition date:	2008-12-08
Last modified:	2024-09-27
Identifier:	N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide

JJL

JJL
Name:	S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine
Formula:	C10 H14 N2 O4 S
SMILES:	O=C(O)C(N)CSC(O)c1cncc(OC)c1
InChi:	InChI=1S/C10H14N2O4S/c1-16-7-2-6(3-12-4-7)10(15)17-5-8(11)9(13)14/h2-4,8,10,15H,5,11H2,1H3,(H,13,14)/t8-,10-/m0/s1
Definition date:	2010-08-06
Last modified:	2024-09-27
Identifier:	S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine

JJO

JJO
Name:	N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide
Formula:	C27 H23 Cl N4 O4
SMILES:	O=C(N(C(c1cccnc1)C(=O)NCc1ccccc1)c1cccc(NC(=O)CCl)c1)c1ccco1
InChi:	InChI=1S/C27H23ClN4O4/c28-16-24(33)31-21-10-4-11-22(15-21)32(27(35)23-12-6-14-36-23)25(20-9-5-13-29-18-20)26(34)30-17-19-7-2-1-3-8-19/h1-15,18,25H,16-17H2,(H,30,34)(H,31,33)/t25-/m1/s1
Definition date:	2023-08-07
Last modified:	2024-09-27
Release date:	2024-01-24
Identifier:	N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide

AP3

AP3
Name:	2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
Formula:	C11 H19 N O5 S
SMILES:	O=C(O)C(C(O)(C)C)C1SC(C(C(=O)O)N1)(C)C
InChi:	InChI=1S/C11H19NO5S/c1-10(2,17)5(8(13)14)7-12-6(9(15)16)11(3,4)18-7/h5-7,12,17H,1-4H3,(H,13,14)(H,15,16)/t5-,6+,7-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1S)-1-carboxy-2-hydroxy-2-methylpropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

APA

APA
Name:	(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
Formula:	C10 H12 N2 O3
SMILES:	O=C(O)C(O)Cc1ccc(cc1)C(=[N@H])N
InChi:	InChI=1S/C10H12N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8,13H,5H2,(H3,11,12)(H,14,15)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid

APD

APD
Name:	3-METHYLPHENYLALANINE
Formula:	C10 H13 N O2
SMILES:	O=C(O)C(N)Cc1cccc(c1)C
InChi:	InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
Definition date:	2001-09-28
Last modified:	2024-09-27
Identifier:	3-methyl-L-phenylalanine

APF

APF
Name:	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
Formula:	C12 H12 F3 N O2
SMILES:	FC(F)(F)C(=O)C(NC(=O)C)Cc1ccccc1
InChi:	InChI=1S/C12H12F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-[(1S)-1-benzyl-3,3,3-trifluoro-2-oxopropyl]acetamide

APG

APG
Name:	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)
Formula:	C9 H10 O3
SMILES:	O=C(O)C(O)(c1ccccc1)C
InChi:	InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-hydroxy-2-phenylpropanoic acid

API

API
Name:	2,6-DIAMINOPIMELIC ACID
Formula:	C7 H14 N2 O4
SMILES:	O=C(O)C(N)CCCC(C(=O)O)N
InChi:	InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R,6S)-2,6-diaminoheptanedioic acid

APK

APK
Name:	5'-O-[(S)-{[(5S)-5-AMINO-6-OXOHEXYL]AMINO}(HYDROXY)PHOSPHORYL]ADENOSINE
Formula:	C16 H26 N7 O7 P
SMILES:	O=CC(N)CCCCNP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C16H26N7O7P/c17-9(5-24)3-1-2-4-22-31(27,28)29-6-10-12(25)13(26)16(30-10)23-8-21-11-14(18)19-7-20-15(11)23/h5,7-10,12-13,16,25-26H,1-4,6,17H2,(H2,18,19,20)(H2,22,27,28)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2006-02-21
Last modified:	2024-09-27
Identifier:	5'-O-[(S)-{[(5S)-5-amino-6-oxohexyl]amino}(hydroxy)phosphoryl]adenosine

APN

APN
Name:	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE
Formula:	C11 H16 N7 O3
SMILES:	O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC[NH3+]
InChi:	InChI=1S/C11H15N7O3/c12-1-2-17(4-8(20)21)7(19)3-18-6-16-9-10(13)14-5-15-11(9)18/h5-6H,1-4,12H2,(H,20,21)(H2,13,14,15)/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-{[(6-amino-9H-purin-9-yl)acetyl](carboxymethyl)amino}ethanaminium

6QR

6QR
Name:	(2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Formula:	C18 H20 N2 O4 S
SMILES:	C[CH](O)[CH](C=O)[CH]1N=C([CH](Sc2c[nH]c3ccccc23)[CH]1C)C(O)=O
InChi:	InChI=1S/C18H20N2O4S/c1-9-15(12(8-21)10(2)22)20-16(18(23)24)17(9)25-14-7-19-13-6-4-3-5-11(13)14/h3-10,12,15,17,19,22H,1-2H3,(H,23,24)/t9-,10+,12-,15-,17-/m1/s1
Definition date:	2016-05-25
Last modified:	2024-09-27
Release date:	2016-11-09
Identifier:	(2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

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