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06D

06D
Name:	1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
Formula:	C14 H19 N O2
SMILES:	CCC(=O)N1CCC[CH]1c2ccc(OC)cc2
InChi:	InChI=1S/C14H19NO2/c1-3-14(16)15-10-4-5-13(15)11-6-8-12(17-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1
Definition date:	2021-06-03
Last modified:	2024-09-27
Release date:	2022-04-06
Identifier:	1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one

06E

06E
Name:	6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
Formula:	C16 H17 Br N4 O3 S
SMILES:	OC(=O)CCCCCNCC1=Nc2c(sc3cc(Br)cnc23)C(=O)N1
InChi:	InChI=1S/C16H17BrN4O3S/c17-9-6-10-13(19-7-9)14-15(25-10)16(24)21-11(20-14)8-18-5-3-1-2-4-12(22)23/h6-7,18H,1-5,8H2,(H,22,23)(H,20,21,24)
Definition date:	2021-05-28
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid

06Q

06Q
Name:	N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
Formula:	C34 H35 F N4 O6
SMILES:	O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](Cc2ccc(F)cc2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5
InChi:	InChI=1S/C34H35FN4O6/c35-25-14-12-21(13-15-25)17-27(39-33(43)29-19-23-9-4-5-11-28(23)45-29)32(42)38-26(18-24-10-6-16-36-31(24)41)30(40)34(44)37-20-22-7-2-1-3-8-22/h1-5,7-9,11-15,19,24,26-27,30,40H,6,10,16-18,20H2,(H,36,41)(H,37,44)(H,38,42)(H,39,43)/t24-,26-,27-,30-/m0/s1
Definition date:	2022-09-29
Last modified:	2024-09-27
Release date:	2023-06-07
Identifier:	~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide

074

074
Name:	[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIONYL]-ISOLEUCYL-PROLINE
Formula:	C18 H31 N3 O6
SMILES:	O=C(N1C(C(=O)O)CCC1)C(NC(=O)CC(O)C(=O)NCCC)C(C)CC
InChi:	InChI=1S/C18H31N3O6/c1-4-8-19-16(24)13(22)10-14(23)20-15(11(3)5-2)17(25)21-9-6-7-12(21)18(26)27/h11-13,15,22H,4-10H2,1-3H3,(H,19,24)(H,20,23)(H,26,27)/t11-,12-,13-,15-/m0/s1
Synonyms:	CA-074
Definition date:	1999-07-12
Last modified:	2024-09-27
Identifier:	N-[(3S)-3-hydroxy-4-oxo-4-(propylamino)butanoyl]-L-isoleucyl-L-proline

07E

07E
Name:	(3S)-3-hydroxybutyl beta-D-xylopyranoside
Formula:	C9 H18 O6
SMILES:	O(CCC(O)C)C1OCC(O)C(O)C1O
InChi:	InChI=1S/C9H18O6/c1-5(10)2-3-14-9-8(13)7(12)6(11)4-15-9/h5-13H,2-4H2,1H3/t5-,6+,7-,8+,9+/m0/s1
Synonyms:	(3S)-3-hydroxybutyl beta-D-xyloside
Definition date:	2011-09-23
Last modified:	2024-09-27
Release date:	2017-07-12
Identifier:	(3S)-3-hydroxybutyl beta-D-xylopyranoside

07O

07O
Name:	S-[(2S)-2-phenylpropanoyl]-L-cysteine
Formula:	C12 H15 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)C(c1ccccc1)C
InChi:	InChI=1S/C12H15NO3S/c1-8(9-5-3-2-4-6-9)12(16)17-7-10(13)11(14)15/h2-6,8,10H,7,13H2,1H3,(H,14,15)/t8-,10-/m0/s1
Definition date:	2011-09-30
Last modified:	2024-09-27
Identifier:	S-[(2S)-2-phenylpropanoyl]-L-cysteine

08M

08M
Name:	N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine
Formula:	C10 H14 N4 O3
SMILES:	O=C(NCCCC(C(=O)O)N)c1nccnc1
InChi:	InChI=1S/C10H14N4O3/c11-7(10(16)17)2-1-3-14-9(15)8-6-12-4-5-13-8/h4-7H,1-3,11H2,(H,14,15)(H,16,17)/t7-/m0/s1
Definition date:	2011-10-13
Last modified:	2024-09-27
Identifier:	N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine

08Q

08Q
Name:	5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
Formula:	C12 H20 N3 O7 P S
SMILES:	O=P(O)(OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O)NCCS
InChi:	InChI=1S/C12H20N3O7PS/c1-7-5-15(12(18)14-11(7)17)10-4-8(16)9(22-10)6-21-23(19,20)13-2-3-24/h5,8-10,16,24H,2-4,6H2,1H3,(H2,13,19,20)(H,14,17,18)/t8-,9+,10-/m0/s1
Definition date:	2011-10-15
Last modified:	2024-09-27
Identifier:	5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine

0A0

0A0
Name:	2-methyl-L-aspartic acid
Formula:	C5 H9 N O4
SMILES:	O=C(O)CC(N)(C(=O)O)C
InChi:	InChI=1S/C5H9NO4/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
Definition date:	2007-11-09
Last modified:	2024-09-27
Identifier:	2-methyl-L-aspartic acid

0A1

0A1
Name:	O-methyl-L-tyrosine
Formula:	C10 H13 N O3
SMILES:	O=C(O)C(N)Cc1ccc(OC)cc1
InChi:	InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
Definition date:	2007-11-09
Last modified:	2024-09-27
Identifier:	O-methyl-L-tyrosine

0A8

0A8
Name:	S-[(2-chloroethyl)carbamoyl]-L-cysteine
Formula:	C6 H11 Cl N2 O3 S
SMILES:	O=C(O)C(N)CSC(=O)NCCCl
InChi:	InChI=1S/C6H11ClN2O3S/c7-1-2-9-6(12)13-3-4(8)5(10)11/h4H,1-3,8H2,(H,9,12)(H,10,11)/t4-/m0/s1
Definition date:	2007-11-09
Last modified:	2024-09-27
Identifier:	S-[(2-chloroethyl)carbamoyl]-L-cysteine

0A9

0A9
Name:	methyl L-phenylalaninate
Formula:	C10 H13 N O2
SMILES:	O=C(OC)C(N)Cc1ccccc1
InChi:	InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
Definition date:	2007-11-09
Last modified:	2024-09-27
Identifier:	methyl L-phenylalaninate

0AD

0AD
Name:	2'-deoxy-N-propylguanosine 5'-(dihydrogen phosphate)
Formula:	C13 H20 N5 O7 P
SMILES:	O=C1c2ncn(c2N=C(NCCC)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:	InChI=1S/C13H20N5O7P/c1-2-3-14-13-16-11-10(12(20)17-13)15-6-18(11)9-4-7(19)8(25-9)5-24-26(21,22)23/h6-9,19H,2-5H2,1H3,(H2,21,22,23)(H2,14,16,17,20)/t7-,8+,9+/m0/s1
Definition date:	2007-11-10
Last modified:	2024-09-27
Identifier:	2'-deoxy-N-propylguanosine 5'-(dihydrogen phosphate)

0AF

0AF
Name:	7-hydroxy-L-tryptophan
Formula:	C11 H12 N2 O3
SMILES:	O=C(O)C(N)Cc2c1cccc(O)c1nc2
InChi:	InChI=1S/C11H12N2O3/c12-8(11(15)16)4-6-5-13-10-7(6)2-1-3-9(10)14/h1-3,5,8,13-14H,4,12H2,(H,15,16)/t8-/m0/s1
Definition date:	2007-11-11
Last modified:	2024-09-27
Identifier:	7-hydroxy-L-tryptophan

0AH

0AH
Name:	O-(bromoacetyl)-L-serine
Formula:	C5 H8 Br N O4
SMILES:	BrCC(=O)OCC(C(=O)O)N
InChi:	InChI=1S/C5H8BrNO4/c6-1-4(8)11-2-3(7)5(9)10/h3H,1-2,7H2,(H,9,10)/t3-/m0/s1
Definition date:	2007-11-11
Last modified:	2024-09-27
Identifier:	O-(bromoacetyl)-L-serine

0AK

0AK
Name:	(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid
Formula:	C6 H10 Cl N O4
SMILES:	O=C(OCCCl)CC(N)C(=O)O
InChi:	InChI=1S/C6H10ClNO4/c7-1-2-12-5(9)3-4(8)6(10)11/h4H,1-3,8H2,(H,10,11)/t4-/m0/s1
Definition date:	2007-11-11
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid (non-preferred name)

0AR

0AR
Name:	N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
Formula:	C8 H16 N4 O3
SMILES:	O=C(O)C(N)CCCNC(=[N@H])NC(=O)C
InChi:	InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1
Definition date:	2009-07-10
Last modified:	2024-09-27
Identifier:	N~5~-(N-acetylcarbamimidoyl)-L-ornithine

0AX

0AX
Name:	N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
Formula:	C34 H42 N4 O6
SMILES:	O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5
InChi:	InChI=1S/C34H42N4O6/c39-30(34(43)36-21-23-12-5-2-6-13-23)26(19-25-15-9-17-35-31(25)40)37-32(41)27(18-22-10-3-1-4-11-22)38-33(42)29-20-24-14-7-8-16-28(24)44-29/h2,5-8,12-14,16,20,22,25-27,30,39H,1,3-4,9-11,15,17-19,21H2,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t25-,26-,27-,30+/m0/s1
Definition date:	2022-09-29
Last modified:	2024-09-27
Release date:	2023-09-27
Identifier:	~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide

0BF

0BF
Name:	8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Formula:	C24 H23 Cl N2 O3 S
SMILES:	ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4cccc5ccccc45
InChi:	InChI=1S/C24H23ClN2O3S/c25-14-22(28)26-12-10-24(11-13-26)27(23(29)16-31-24)15-18-8-9-21(30-18)20-7-3-5-17-4-1-2-6-19(17)20/h1-9H,10-16H2
Definition date:	2021-06-08
Last modified:	2024-09-27
Release date:	2022-02-16
Identifier:	8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

0BN

0BN
Name:	4-carbamimidoyl-L-phenylalanine
Formula:	C10 H13 N3 O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)C(=[N@H])N
InChi:	InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2010-09-25
Last modified:	2024-09-27
Identifier:	4-carbamimidoyl-L-phenylalanine

0BO

0BO
Name:	N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide
Formula:	C30 H40 N4 O6
SMILES:	O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NC5CC5
InChi:	InChI=1S/C30H40N4O6/c35-26(30(39)32-21-12-13-21)22(16-20-10-6-14-31-27(20)36)33-28(37)23(15-18-7-2-1-3-8-18)34-29(38)25-17-19-9-4-5-11-24(19)40-25/h4-5,9,11,17-18,20-23,26,35H,1-3,6-8,10,12-16H2,(H,31,36)(H,32,39)(H,33,37)(H,34,38)/t20-,22-,23-,26+/m0/s1
Definition date:	2022-09-29
Last modified:	2024-09-27
Release date:	2023-09-27
Identifier:	~{N}-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide

0BV

0BV
Name:	phenanthren-9-ylacetaldehyde
Formula:	C16 H12 O
SMILES:	O=CCc2cc3c(c1c2cccc1)cccc3
InChi:	InChI=1S/C16H12O/c17-10-9-13-11-12-5-1-2-6-14(12)16-8-4-3-7-15(13)16/h1-8,10-11H,9H2
Synonyms:	9-ethylphenanthrene, oxidized and bound form
Definition date:	2011-11-28
Last modified:	2024-09-27
Release date:	2013-01-04
Identifier:	phenanthren-9-ylacetaldehyde

0CI

0CI
Name:	5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:	C18 H19 N5 O3
SMILES:	CCC(=O)N1CCC(C1)Oc1nc(cc2ccccc12)C=1NC(=O)NN=1
InChi:	InChI=1S/C18H19N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h3-6,9,12H,2,7-8,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1
Definition date:	2021-06-07
Last modified:	2024-09-27
Release date:	2021-09-08
Identifier:	5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

0CS

0CS
Name:	3-[(S)-HYDROPEROXYSULFINYL]-L-ALANINE
Formula:	C3 H7 N O5 S
SMILES:	O=C(O)C(N)CS(=O)OO
InChi:	InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(8)9-7/h2,7H,1,4H2,(H,5,6)/t2-,10-/m0/s1
Definition date:	2007-01-19
Last modified:	2024-09-27
Identifier:	3-[(S)-hydroperoxysulfinyl]-L-alanine

0D6

0D6
Name:	N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide
Formula:	C28 H40 N4 O4 S
SMILES:	O=C(NC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)CC(C)C)N3CCNCC3
InChi:	InChI=1S/C28H40N4O4S/c1-22(2)21-26(31-28(34)32-18-16-29-17-19-32)27(33)30-24(14-13-23-9-5-3-6-10-23)15-20-37(35,36)25-11-7-4-8-12-25/h3-12,22,24,26,29H,13-21H2,1-2H3,(H,30,33)(H,31,34)/t24-,26-/m0/s1
Synonyms:	APC3328
Definition date:	2008-11-07
Last modified:	2024-09-27
Identifier:	N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide

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