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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

0D8

0D8
Name:	3-aminopropan-1-ol
Formula:	C3 H9 N O
SMILES:	OCCCN
InChi:	InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
Definition date:	2008-12-10
Last modified:	2024-09-27
Identifier:	3-aminopropan-1-ol

0DQ

0DQ
Name:	4-phenyl-1,2,3-thiadiazol-5-amine
Formula:	C8 H7 N3 S
SMILES:	n1nsc(c1c2ccccc2)N
InChi:	InChI=1S/C8H7N3S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H,9H2
Definition date:	2011-12-16
Last modified:	2024-09-27
Identifier:	4-phenyl-1,2,3-thiadiazol-5-amine

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

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

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