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OIC
OIC
Name:OCTAHYDROINDOLE-2-CARBOXYLIC ACID
Formula:C9 H15 N O2
SMILES:O=C(O)C1NC2CCCCC2C1
InChi:InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid
PQG
PQG
Name:cis-1-amino-4-phenylcyclohexane-1-carboxylic acid
Formula:C13 H17 N O2
SMILES:c1(ccccc1)C2CCC(N)(C(O)=O)CC2
InChi:InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)/t11-,13+
Definition date:2019-08-20
Last modified:2024-09-27
Release date:2020-02-05
Identifier:cis-1-amino-4-phenylcyclohexane-1-carboxylic acid
SYP
SYP
Name:N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
Formula:C11 H19 N5 O S
SMILES:O=C(NCCNc1ncnc(c1)NCCS)CC
InChi:InChI=1S/C11H19N5OS/c1-2-11(17)14-4-3-12-9-7-10(13-5-6-18)16-8-15-9/h7-8,18H,2-6H2,1H3,(H,14,17)(H2,12,13,15,16)
Definition date:2010-12-13
Last modified:2024-09-27
Identifier:N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
O2X
O2X
Name:~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide
Formula:C23 H31 Cl2 N3 O3
SMILES:ClCC(=O)N1CCC2(CC1)CC(CNC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C2
InChi:InChI=1S/C23H31Cl2N3O3/c24-15-20(29)28-9-5-22(6-10-28)13-17(14-22)16-26-21(30)23(7-11-31-12-8-23)27-19-3-1-18(25)2-4-19/h1-4,17,27H,5-16H2,(H,26,30)
Definition date:2022-08-26
Last modified:2024-09-27
Release date:2023-09-20
Identifier:~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide
VDE
VDE
Name:(2S)-2-azanyl-6-[4-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid
Formula:C11 H20 N6 O3
SMILES:N[CH](CCCCn1cc(C[CH](N)C(N)=O)nn1)C(O)=O
InChi:InChI=1S/C11H20N6O3/c12-8(11(19)20)3-1-2-4-17-6-7(15-16-17)5-9(13)10(14)18/h6,8-9H,1-5,12-13H2,(H2,14,18)(H,19,20)/t8-,9-/m0/s1
Definition date:2021-05-06
Last modified:2024-09-27
Release date:2023-04-26
Identifier:(2~{S})-2-azanyl-6-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid
SKN
SKN
Name:((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid
Formula:C24 H27 B N4 O4
SMILES:CCc1cccc(C[CH](NC(=O)[CH](Cc2ccccc2)NC(=O)c3cnccn3)B(O)O)c1
InChi:InChI=1S/C24H27BN4O4/c1-2-17-9-6-10-19(13-17)15-22(25(32)33)29-23(30)20(14-18-7-4-3-5-8-18)28-24(31)21-16-26-11-12-27-21/h3-13,16,20,22,32-33H,2,14-15H2,1H3,(H,28,31)(H,29,30)/t20-,22-/m0/s1
Synonyms:[(1~{R})-2-(3-ethylphenyl)-1-[[(2~{S})-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]ethyl]boronic acid
Definition date:2020-11-23
Last modified:2024-09-27
Release date:2021-12-01
Identifier:[(1~{R})-2-(3-ethylphenyl)-1-[[(2~{S})-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]ethyl]boronic acid
YLD
YLD
Name:(1R,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:C21 H30 F N3 O8 S
SMILES:CC(C)CC(NC(=O)OCc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C21H30FN3O8S/c1-12(2)8-16(25-21(29)33-11-13-4-3-5-15(22)9-13)19(27)24-17(20(28)34(30,31)32)10-14-6-7-23-18(14)26/h3-5,9,12,14,16-17,20,28H,6-8,10-11H2,1-2H3,(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-{[(3-fluorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
XUJ
XUJ
Name:(2R)-2-amino-4-boronobutanoic acid
Formula:C4 H10 B N O4
SMILES:B(O)(CCC(C(O)=O)N)O
InChi:InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m1/s1
Definition date:2021-01-13
Last modified:2024-09-27
Release date:2022-02-23
Identifier:(2R)-2-amino-4-boronobutanoic acid
M1N
M1N
Name:(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID
Formula:C23 H32 B N3 O5
SMILES:O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc2c1ccccc1ccc2)N3CCOCC3
InChi:InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1
Synonyms:N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID
Definition date:2006-01-10
Last modified:2024-09-27
Identifier:[(1R)-3-methyl-1-({(2R)-2-[(morpholin-4-ylcarbonyl)amino]-3-naphthalen-1-ylpropanoyl}amino)butyl]boronic acid (non-preferred name)
S56
S56
Name:(2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide
Formula:C28 H30 N6 O3
SMILES:O=C(C(C#N)Cc3c(c2ccc(Oc1ccccc1)cc2)c4c(n3CCOC)ncnc4N)NC(C)C
InChi:InChI=1S/C28H30N6O3/c1-18(2)33-28(35)20(16-29)15-23-24(25-26(30)31-17-32-27(25)34(23)13-14-36-3)19-9-11-22(12-10-19)37-21-7-5-4-6-8-21/h4-12,17-18,20H,13-15H2,1-3H3,(H,33,35)(H2,30,31,32)/t20-/m0/s1
Synonyms:Rao-IV-156, bound form
Definition date:2016-09-28
Last modified:2024-09-27
Release date:2017-09-27
Identifier:(2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide
PQI
PQI
Name:1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
Formula:C23 H25 Cl N4 O2
SMILES:CCC(=O)N1CCN2Cc3ccc(c(Cl)c3OC[CH]2C1)c4c(C)ccc5n[nH]cc45
InChi:InChI=1S/C23H25ClN4O2/c1-3-20(29)28-9-8-27-11-15-5-6-17(22(24)23(15)30-13-16(27)12-28)21-14(2)4-7-19-18(21)10-25-26-19/h4-7,10,16H,3,8-9,11-13H2,1-2H3,(H,25,26)/t16-/m0/s1
Definition date:2022-10-04
Last modified:2024-09-27
Release date:2023-07-12
Identifier:1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
YLE
YLE
Name:8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Formula:C15 H12 N2 O2
SMILES:O=C1NCCc2c1[nH]c3c2cccc3c4cocc4
InChi:InChI=1S/C15H12N2O2/c18-15-14-12(4-6-16-15)11-3-1-2-10(13(11)17-14)9-5-7-19-8-9/h1-3,5,7-8,17H,4,6H2,(H,16,18)
Definition date:2023-12-05
Last modified:2024-09-27
Release date:2024-10-02
Identifier:8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
MGG
MGG
Name:2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-PENTANOIC ACID
Formula:C9 H17 N4 O5
SMILES:O=C(NC(C(=O)O)CCCNC(=[NH2+])N)CC(=O)O
InChi:InChI=1S/C9H16N4O5/c10-9(11)12-3-1-2-5(8(17)18)13-6(14)4-7(15)16/h5H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H4,10,11,12)/p+1/t5-/m1/s1
Synonyms:D-ARGININE WITH 3-OXO-PROPIONIC ACID MODIFICATION
Definition date:1999-08-25
Last modified:2024-09-27
Identifier:amino({(4R)-4-carboxy-4-[(carboxyacetyl)amino]butyl}amino)methaniminium
SYS
SYS
Name:3-[(2-amino-2-oxoethyl)selanyl]-L-alanine
Formula:C5 H10 N2 O3 Se
SMILES:O=C(O)C(N)C[Se]CC(=O)N
InChi:InChI=1S/C5H10N2O3Se/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Synonyms:L-(Se-carboxamidomethyl)selenocysteine
Definition date:2008-09-17
Last modified:2024-09-27
Identifier:3-[(2-amino-2-oxoethyl)selanyl]-L-alanine
Z10
Z10
Name:[(1S)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron
Formula:C15 H16 B F N O4
SMILES:C[CH](NC(=O)c1c(F)cccc1c2ccccc2)[B-](O)(O)O
InChi:InChI=1S/C15H16BFNO4/c1-10(16(20,21)22)18-15(19)14-12(8-5-9-13(14)17)11-6-3-2-4-7-11/h2-10,20-22H,1H3,(H,18,19)/q-1/t10-/m1/s1
Definition date:2010-12-15
Last modified:2024-09-27
Identifier:[(1S)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron
NO1
NO1
Name:4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid
Formula:C11 H11 N O3
SMILES:O=C(O)c2c(c1c(cccc1n2)CO)C
InChi:InChI=1S/C11H11NO3/c1-6-9-7(5-13)3-2-4-8(9)12-10(6)11(14)15/h2-4,12-13H,5H2,1H3,(H,14,15)
Definition date:2010-11-03
Last modified:2024-09-27
Identifier:4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid
M1R
M1R
Name:1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Formula:C30 H38 N6 O2
SMILES:c5(N2Cc3nc(nc(N1CCN(CC1)C(CC)=O)c3CC2)OCC4N(C)CCC4)cccc6c5cccc6
InChi:InChI=1S/C30H38N6O2/c1-3-28(37)34-16-18-35(19-17-34)29-25-13-15-36(27-12-6-9-22-8-4-5-11-24(22)27)20-26(25)31-30(32-29)38-21-23-10-7-14-33(23)2/h4-6,8-9,11-12,23H,3,7,10,13-21H2,1-2H3/t23-/m0/s1
Definition date:2019-10-31
Last modified:2024-09-27
Release date:2020-04-22
Identifier:1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
KFP
KFP
Name:N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine
Formula:C13 H19 N7 O3
SMILES:O=C(O)C(N)CCCCNCc2nc1c(N=C(N)NC1=O)nc2
InChi:InChI=1S/C13H19N7O3/c14-8(12(22)23)3-1-2-4-16-5-7-6-17-10-9(18-7)11(21)20-13(15)19-10/h6,8,16H,1-5,14H2,(H,22,23)(H3,15,17,19,20,21)/t8-/m1/s1
Definition date:2013-03-25
Last modified:2024-09-27
Release date:2013-04-24
Identifier:N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine
ZNH
ZNH
Name:PROTOPORPHYRIN IX CONTAINING ZN
Formula:C34 H32 N4 O4 Zn
SMILES:CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=C)C(=C(CCC(O)=O)C5=C2)C
InChi:InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:2001-03-01
Last modified:2024-09-27
KUS
KUS
Name:(Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide
Formula:C10 H8 Cl N O2
SMILES:Clc1ccc(NC(=O)C=CC=O)cc1
InChi:InChI=1S/C10H8ClNO2/c11-8-3-5-9(6-4-8)12-10(14)2-1-7-13/h1-7H,(H,12,14)/b2-1-
Synonyms:N1-(4-chlorophenyl)-2-butenediamide (reacted form of)
Definition date:2022-06-07
Last modified:2024-09-27
Release date:2023-06-14
Identifier:(~{Z})-~{N}-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide
KUT
KUT
Name:KUT [2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]
Formula:C35 H63 N3 O12
SMILES:OC(=O)CCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(O)=O
InChi:InChI=1S/C35H63N3O12/c39-21-24-49-26-25-47-23-20-37-33(42)29-50-28-27-48-22-19-36-31(40)18-17-30(35(45)46)38-32(41)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-34(43)44/h21,30H,1-20,22-29H2,(H,36,40)(H,37,42)(H,38,41)(H,43,44)(H,45,46)/t30-/m0/s1
Definition date:2019-06-28
Last modified:2024-09-27
Release date:2020-07-15
Identifier:18-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-[2-oxidanylidene-2-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentan-2-yl]amino]-18-oxidanylidene-octadecanoic acid
VDJ
VDJ
Name:[4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:C21 H35 F2 N3 O8 S
SMILES:C(C(NC(CC1C(=O)NCC1)C(S(O)(=O)=O)O)=O)(CC(C)C)NC(=O)OCC2CCC(CC2)(F)F
InChi:InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t14-,15-,16-,19+/m0/s1
Definition date:2020-07-30
Last modified:2024-09-27
Release date:2020-08-12
Identifier:(1R,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
NO3
NO3
Name:NITRATE ION
Formula:N O3
SMILES:[O-][N+]([O-])=O
InChi:InChI=1S/NO3/c2-1(3)4/q-1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:nitrate
VS1
VS1
Name:3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE
Formula:C31 H37 N3 O5 S
SMILES:O=C(NC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)Cc3ccccc3)N4CCOCC4
InChi:InChI=1S/C31H37N3O5S/c35-30(29(24-26-12-6-2-7-13-26)33-31(36)34-19-21-39-22-20-34)32-27(17-16-25-10-4-1-5-11-25)18-23-40(37,38)28-14-8-3-9-15-28/h1-15,27,29H,16-24H2,(H,32,35)(H,33,36)/t27-,29-/m0/s1
Definition date:2000-06-07
Last modified:2024-09-27
Identifier:Nalpha-(morpholin-4-ylcarbonyl)-N-{(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-L-phenylalaninamide
VDK
VDK
Name:[(1S,3S)-3-carboxycyclohexyl]azanium
Formula:C7 H14 N O2
SMILES:[NH3+][CH]1CCC[CH](C1)C(O)=O
InChi:InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1/t5-,6-/m0/s1
Definition date:2021-05-07
Last modified:2024-09-27
Release date:2021-08-11
Identifier:[(1~{S},3~{S})-3-carboxycyclohexyl]azanium

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