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X5P

X5P
Name:	4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
Formula:	C7 H11 N O5
SMILES:	C[CH](NC(=O)CCC(O)=O)C(O)=O
InChi:	InChI=1S/C7H11NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1
Definition date:	2023-05-31
Last modified:	2023-11-03
Release date:	2023-06-14
Identifier:	4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid

X60

X60
Name:	2-ethyl-L-norvaline
Formula:	C7 H15 N O2
SMILES:	CCCC(N)(CC)C(=O)O
InChi:	InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1
Definition date:	2023-06-02
Last modified:	2023-11-03
Release date:	2023-08-16
Identifier:	2-ethyl-L-norvaline

HY1

HY1
Name:	PHENYLACETALDEHYDE
Formula:	C8 H8 O
SMILES:	O=CCc1ccccc1
InChi:	InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
Definition date:	1999-08-26
Last modified:	2023-11-03
Identifier:	phenylacetaldehyde

X6E

X6E
Name:	2-ethyl-D-norvaline
Formula:	C7 H15 N O2
SMILES:	CCCC(N)(CC)C(=O)O
InChi:	InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1
Definition date:	2023-06-02
Last modified:	2023-11-03
Release date:	2023-08-16
Identifier:	2-ethyl-D-norvaline

1HB

1HB
Name:	(4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide
Formula:	C7 H16 N2 O2
SMILES:	O=C(N(C)C)CCC(N)CO
InChi:	InChI=1S/C7H16N2O2/c1-9(2)7(11)4-3-6(8)5-10/h6,10H,3-5,8H2,1-2H3/t6-/m0/s1
Synonyms:	N,N-dimethyl-L-glutamine aldehyde, bound form
Definition date:	2013-02-04
Last modified:	2023-11-03
Release date:	2013-02-15
Identifier:	(4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide

I0C

I0C
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid
Formula:
SMILES:	N[CH](CCN(CCCNc1ncnc2n(cnc12)C3OC(CO)C(O)C3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O
InChi:	InChI=1S/C27H38N12O9/c28-12(27(45)46)2-5-37(6-13-17(41)19(43)25(47-13)38-10-35-15-21(29)31-8-33-23(15)38)4-1-3-30-22-16-24(34-9-32-22)39(11-36-16)26-20(44)18(42)14(7-40)48-26/h8-14,17-20,25-26,40-44H,1-7,28H2,(H,45,46)(H2,29,31,33)(H,30,32,34)/t12-,13+,14?,17+,18?,19+,20?,25+,26?/m0/s1
Definition date:	2023-07-24
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid

1HD

1HD
Name:	N-[(2S)-2-amino-3-hydroxypropyl]acetamide
Formula:	C5 H12 N2 O2
SMILES:	O=C(NCC(N)CO)C
InChi:	InChI=1S/C5H12N2O2/c1-4(9)7-2-5(6)3-8/h5,8H,2-3,6H2,1H3,(H,7,9)/t5-/m0/s1
Definition date:	2013-02-05
Last modified:	2023-11-03
Release date:	2013-02-15
Identifier:	N-[(2S)-2-amino-3-hydroxypropyl]acetamide

X9B

X9B
Name:	(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Formula:	C24 H27 Cl N4 O4
SMILES:	CC(C)(OC)COc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC
InChi:	InChI=1S/C24H27ClN4O4/c1-24(2,32-4)13-33-18-12-26-10-8-14(18)20-21(19-16(28-20)9-11-27-23(19)30)29-17-7-5-6-15(25)22(17)31-3/h5-8,10,12,28-29H,9,11,13H2,1-4H3,(H,27,30)
Definition date:	2022-11-07
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

X9H

X9H
Name:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
Formula:	C23 H20 N6 O
SMILES:	C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1
InChi:	InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1
Definition date:	2022-11-07
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide

X9Q

X9Q
Name:	{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
Formula:	C14 H17 N3 O3
SMILES:	O=C1C(=NC(N1CC(=O)O)C(N)C)Cc2ccccc2
InChi:	InChI=1S/C14H17N3O3/c1-9(15)13-16-11(7-10-5-3-2-4-6-10)14(20)17(13)8-12(18)19/h2-6,9,13H,7-8,15H2,1H3,(H,18,19)/t9-,13-/m0/s1
Synonyms:	CHROMOPHORE (ALA, PHE, GLY)
Definition date:	2007-03-22
Last modified:	2023-11-03
Identifier:	{(2S)-2-[(1S)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid

I1C

I1C
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 I N3 O5
SMILES:	C(O)(C)C(C2=NC(=[C@H]c1cc(I)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:	InChI=1S/C15H16IN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Definition date:	2019-04-02
Last modified:	2023-11-03
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

XA6

XA6
Name:	(2S)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid
Formula:	C10 H12 N2 O3
SMILES:	N[CH](Cc1ccc(cc1)C(N)=O)C(O)=O
InChi:	InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2021-04-01
Last modified:	2023-11-03
Release date:	2021-12-15
Identifier:	(2~{S})-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid

XAW

XAW
Name:	[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone
Formula:	C21 H28 Cl N3 O
SMILES:	O=C(N1CCN(CC1)c1cc(Cl)ccc1N)C12CC3CC(C1)CC(C3)C2
InChi:	InChI=1S/C21H28ClN3O/c22-17-1-2-18(23)19(10-17)24-3-5-25(6-4-24)20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13,23H2/t14-,15+,16-,21-
Definition date:	2022-11-08
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone

I2F

I2F
Name:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6-oxidanyl-hexyl]iminohexane-1,2,4-triol
Formula:	C12 H26 N2 O5
SMILES:	CC(=NCCCC[CH](N)C(O)O)[CH](O)C[CH](O)CO
InChi:	InChI=1S/C12H26N2O5/c1-8(11(17)6-9(16)7-15)14-5-3-2-4-10(13)12(18)19/h9-12,15-19H,2-7,13H2,1H3/b14-8+/t9-,10-,11+/m0/s1
Definition date:	2022-02-08
Last modified:	2023-11-03
Release date:	2023-02-08
Identifier:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6,6-bis(oxidanyl)hexyl]iminohexane-1,2,4-triol

1JM

1JM
Name:	4-carboxy-N-methyl-D-phenylalanine
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(NC)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C11H13NO4/c1-12-9(11(15)16)6-7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
Definition date:	2013-02-15
Last modified:	2023-11-03
Release date:	2013-11-06
Identifier:	4-carboxy-N-methyl-D-phenylalanine

I2J

I2J
Name:	2-(2-aminoethoxy)ethan-1-ol
Formula:	C4 H11 N O2
SMILES:	NCCOCCO
InChi:	InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2
Definition date:	2022-01-07
Last modified:	2023-11-03
Release date:	2022-08-03
Identifier:	2-(2-aminoethoxy)ethan-1-ol

XC0

XC0
Name:	(2S)-2-aminooctanoic acid
Formula:	C8 H17 N O2
SMILES:	NC(CCCCCC)C(=O)O
InChi:	InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1
Definition date:	2022-11-10
Last modified:	2023-11-03
Release date:	2023-11-01
Identifier:	(2S)-2-aminooctanoic acid

1KC

1KC
Name:	(3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid
Formula:	C8 H14 O3 S
SMILES:	CSCCC=C[CH](O)CC(O)=O
InChi:	InChI=1S/C8H14O3S/c1-12-5-3-2-4-7(9)6-8(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,10,11)/b4-2-/t7-/m1/s1
Definition date:	2013-03-04
Last modified:	2023-11-03
Release date:	2014-03-05
Identifier:	(3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid

I3D

I3D
Name:	5,6-difluoro-tryptophan
Formula:	C11 H10 F2 N2 O2
SMILES:	N[CH](Cc1c[nH]c2cc(F)c(F)cc12)C(O)=O
InChi:	InChI=1S/C11H10F2N2O2/c12-7-2-6-5(1-9(14)11(16)17)4-15-10(6)3-8(7)13/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1
Synonyms:	(2S)-2-azanyl-3-[5,6-bis(fluoranyl)-1H-indol-3-yl]propanoic acid
Definition date:	2022-02-10
Last modified:	2023-11-03
Release date:	2022-11-23
Identifier:	(2~{S})-2-azanyl-3-[5,6-bis(fluoranyl)-1~{H}-indol-3-yl]propanoic acid

I4O

I4O
Name:	Histidine oxo-vanadium complex
Formula:	C6 H8 N3 O6 V
SMILES:	N[CH](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O
InChi:	InChI=1S/C6H9N3O2.4O.V/c7-5(6(10)11)1-4-2-8-3-9-4
Synonyms:	[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium
Definition date:	2022-02-11
Last modified:	2023-11-03
Release date:	2023-02-01
Identifier:	[4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium

XDD

XDD
Name:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
Formula:	C14 H19 N7 O3
SMILES:	C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N
InChi:	InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1
Definition date:	2020-12-11
Last modified:	2023-11-03
Release date:	2020-12-23
Identifier:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

XDJ

XDJ
Name:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine
Formula:	C14 H19 N7 O4
SMILES:	C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O
InChi:	InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1
Definition date:	2020-12-11
Last modified:	2023-11-03
Release date:	2020-12-23
Identifier:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine

XDV

XDV
Name:	2-[2-(2-aminoethoxy)ethoxy]acetamide
Formula:	C6 H14 N2 O3
SMILES:	NC(COCCOCCN)=O
InChi:	InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9)
Definition date:	2020-12-11
Last modified:	2023-11-03
Release date:	2020-12-23
Identifier:	2-[2-(2-aminoethoxy)ethoxy]acetamide

XDY

XDY
Name:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C14 H20 N4 O5
SMILES:	C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O
InChi:	InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1
Definition date:	2020-12-11
Last modified:	2023-11-03
Release date:	2020-12-23
Identifier:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

1MH

1MH
Name:	3-pyridin-3-yl-L-alanine
Formula:	C8 H10 N2 O2
SMILES:	O=C(O)C(N)Cc1cccnc1
InChi:	InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
Definition date:	2013-03-28
Last modified:	2023-11-03
Release date:	2013-06-12
Identifier:	3-pyridin-3-yl-L-alanine

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