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YVJ

YVJ
Name:	4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Formula:	C29 H37 F N4 O5
SMILES:	Fc1ccc(cc1)CC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC
InChi:	InChI=1S/C29H37FN4O5/c1-2-39-26(35)13-12-23(18-21-14-15-32-27(21)36)33-29(38)25(17-19-6-4-3-5-7-19)34-28(37)24(31)16-20-8-10-22(30)11-9-20/h3-11,21,23-25H,2,12-18,31H2,1H3,(H,32,36)(H,33,38)(H,34,37)/t21-,23+,24+,25-/m0/s1
Definition date:	2021-04-01
Last modified:	2024-09-27
Release date:	2022-10-12
Identifier:	4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide

B2F

B2F
Name:	PHENYLALANINE BORONIC ACID
Formula:	C8 H12 B N O2
SMILES:	OB(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-amino-2-phenylethyl]boronic acid

U3X

U3X
Name:	4-[(cyclohexylmethyl)amino]-L-phenylalanine
Formula:	C16 H24 N2 O2
SMILES:	O=C(O)C(N)Cc2ccc(NCC1CCCCC1)cc2
InChi:	InChI=1S/C16H24N2O2/c17-15(16(19)20)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h6-9,13,15,18H,1-5,10-11,17H2,(H,19,20)/t15-/m0/s1
Definition date:	2013-05-06
Last modified:	2024-09-27
Release date:	2013-06-19
Identifier:	4-[(cyclohexylmethyl)amino]-L-phenylalanine

L68

L68
Name:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
Formula:	C23 H16 F2 N4 O3
SMILES:	Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2
InChi:	InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid

A9Z

A9Z
Name:	2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate)
Formula:	C14 H19 N8 O6 P
SMILES:	O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(n3nnc(c3)CC)C4O
InChi:	InChI=1S/C14H19N8O6P/c1-2-7-3-22(20-19-7)10-11(23)8(4-27-29(24,25)26)28-14(10)21-6-18-9-12(15)16-5-17-13(9)21/h3,5-6,8,10-11,14,23H,2,4H2,1H3,(H2,15,16,17)(H2,24,25,26)/t8-,10-,11-,14-/m1/s1
Definition date:	2013-01-16
Last modified:	2024-09-27
Release date:	2013-07-03
Identifier:	2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate)

YVM

YVM
Name:	4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Formula:	C35 H43 F N4 O7
SMILES:	Fc1ccc(cc1)CC(NC(=O)CCOCC#C)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC
InChi:	InChI=1S/C35H43FN4O7/c1-3-19-46-20-17-31(41)39-29(22-25-10-12-27(36)13-11-25)35(45)40-30(21-24-8-6-5-7-9-24)34(44)38-28(14-15-32(42)47-4-2)23-26-16-18-37-33(26)43/h1,5-13,26,28-30H,4,14-23H2,2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,45)/t26-,28+,29+,30-/m0/s1
Definition date:	2021-04-01
Last modified:	2024-09-27
Release date:	2022-10-12
Identifier:	4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide

B2H

B2H
Name:	Chromophore (Thr, Trp, Gly)
Formula:	C17 H20 N4 O4
SMILES:	C[CH](O)[CH](N)c1nc(Cc2c[nH]c3ccccc23)c(O)n1CC(O)=O
InChi:	InChI=1S/C17H20N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,15,19,22,25H,6,8,18H2,1H3,(H,23,24)/t9-,15+/m1/s1
Definition date:	2017-09-06
Last modified:	2024-09-27
Release date:	2017-11-29
Identifier:	2-[2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid

Q2E

Q2E
Name:	(2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal
Formula:	C12 H14 N2 O2 S
SMILES:	CSc1[nH]c2ccccc2c1C[CH](N)C(O)=O
InChi:	InChI=1S/C12H14N2O2S/c1-17-11-8(6-9(13)12(15)16)7-4-2-3-5-10(7)14-11/h2-5,9,14H,6,13H2,1H3,(H,15,16)/t9-/m0/s1
Definition date:	2020-05-07
Last modified:	2024-09-27
Release date:	2021-05-19
Identifier:	(2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanoic acid

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

B2I

B2I
Name:	ISOLEUCINE BORONIC ACID
Formula:	C5 H14 B N O2
SMILES:	OB(O)C(N)C(C)CC
InChi:	InChI=1S/C5H14BNO2/c1-3-4(2)5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t4-,5+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R,2R)-1-amino-2-methylbutyl]boronic acid

ZIZ

ZIZ
Name:	N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide
Formula:	C15 H21 I3 N6 O6
SMILES:	ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI
InChi:	InChI=1S/C15H21I3N6O6/c16-1-10(25)19-4-13(28)22-7-23(14(29)5-20-11(26)2-17)9-24(8-22)15(30)6-21-12(27)3-18/h1-9H2,(H,19,25)(H,20,26)(H,21,27)
Definition date:	2023-06-26
Last modified:	2024-09-27
Release date:	2023-11-01
Identifier:	~{N}-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide

AA1

AA1
Name:	[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID
Formula:	C8 H14 N2 O5
SMILES:	O=C(N(N)CC(=O)O)CCC(=O)OCC
InChi:	InChI=1S/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13)
Definition date:	2005-09-14
Last modified:	2024-09-27
Identifier:	[1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid

L6B

L6B
Name:	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate
Formula:	C15 H18 N2 O4
SMILES:	COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O
InChi:	InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate

L6C

L6C
Name:	phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:	C16 H15 N O3
SMILES:	O=C(Oc1ccccc1)NC(c2ccccc2)CC=O
InChi:	InChI=1S/C16H15NO3/c18-12-11-15(13-7-3-1-4-8-13)17-16(19)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m1/s1
Definition date:	2013-02-11
Last modified:	2024-09-27
Release date:	2013-05-22
Identifier:	phenyl [(1R)-3-oxo-1-phenylpropyl]carbamate

X3H

X3H
Name:	PIRONETIN
Formula:	C19 H34 O4
SMILES:	CC[CH]1CCC(=O)O[CH]1C[CH](O)[CH](C)[CH](OC)[CH](C)CC=CC
InChi:	InChI=1S/C19H34O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,13-17,19-20H,7,9-12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1
Definition date:	2015-11-17
Last modified:	2024-09-27
Release date:	2016-05-18
Identifier:	(5R,6R)-5-ethyl-6-[(E,2R,3S,4R,5S)-4-methoxy-3,5-dimethyl-2-oxidanyl-non-7-enyl]oxan-2-one

YVP

YVP
Name:	N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide
Formula:	C31 H40 N6 O5
SMILES:	CC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCOCC#C)Cc1ccccc1
InChi:	InChI=1S/C31H40N6O5/c1-3-18-42-19-16-28(39)35-26(20-23-11-6-4-7-12-23)29(40)37-27(21-24-13-8-5-9-14-24)30(41)36-25(22(2)38)15-10-17-34-31(32)33/h1,4-9,11-14,25-27H,10,15-21H2,2H3,(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)/t25-,26+,27-/m0/s1
Definition date:	2021-04-01
Last modified:	2024-09-27
Release date:	2022-10-12
Identifier:	N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide

IAM

IAM
Name:	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE
Formula:	C13 H20 N2 O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CNC(C)C
InChi:	InChI=1S/C13H20N2O2/c1-9(2)15-8-11-5-3-10(4-6-11)7-12(14)13(16)17/h3-6,9,12,15H,7-8,14H2,1-2H3,(H,16,17)/t12-/m0/s1
Definition date:	2004-11-19
Last modified:	2024-09-27
Identifier:	4-{[(1-methylethyl)amino]methyl}-L-phenylalanine

ZJ1

ZJ1
Name:	(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide
Formula:	C25 H35 N3 O3 S
SMILES:	CC(C)(C)c1ccc(cc1)N(C(c1cccnc1)C(=O)NC1CCCCC1)S(=O)(=O)CC
InChi:	InChI=1S/C25H35N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h9-10,13-18,21,23H,5-8,11-12H2,1-4H3,(H,27,29)/t23-/m1/s1
Definition date:	2021-04-29
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide

JY0

JY0
Name:	benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate
Formula:	C23 H35 N3 O6
SMILES:	CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C23H35N3O6/c1-15(32-23(2,3)4)19(26-22(30)31-14-16-8-6-5-7-9-16)21(29)25-18(13-27)12-17-10-11-24-20(17)28/h5-9,15,17-19,27H,10-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t15-,17-,18-,19-/m0/s1
Definition date:	2023-08-10
Last modified:	2024-09-27
Release date:	2024-08-14
Identifier:	benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate

X3I

X3I
Name:	(5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)
Formula:	C28 H43 F O2
SMILES:	FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCC#C
InChi:	InChI=1S/C28H43FO2/c1-5-16-31-22-12-14-27(3)20(17-22)7-9-23-25-11-10-24(19(2)6-8-21(30)18-29)28(25,4)15-13-26(23)27/h1,19-20,22-26H,6-18H2,2-4H3/t19-,20-,22-,23+,24-,25+,26+,27+,28-/m1/s1
Definition date:	2022-10-26
Last modified:	2024-09-27
Release date:	2023-11-15
Identifier:	(5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)

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

ZZJ

ZZJ
Name:	N^2^-methyl-L-alaninamide
Formula:	C4 H10 N2 O
SMILES:	O=C(N)C(NC)C
InChi:	InChI=1S/C4H10N2O/c1-3(6-2)4(5)7/h3,6H,1-2H3,(H2,5,7)/t3-/m0/s1
Definition date:	2009-09-02
Last modified:	2024-09-27
Identifier:	N~2~-methyl-L-alaninamide

IAN

IAN
Name:	methyl hydrogen (R)-[(R)-methoxy(phenyl)methyl]phosphonate
Formula:	C9 H13 O4 P
SMILES:	O=P(O)(OC)C(OC)c1ccccc1
InChi:	InChI=1S/C9H13O4P/c1-12-9(14(10,11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,10,11)/t9-/m1/s1
Definition date:	2011-03-29
Last modified:	2024-09-27
Identifier:	methyl hydrogen (R)-[(R)-methoxy(phenyl)methyl]phosphonate

IP8

IP8
Name:	Isopentenyl phosphate
Formula:	C5 H11 O4 P
SMILES:	O=P(OCCC(=C)C)(O)O
InChi:	InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)
Synonyms:	3-methylbut-3-en-1-yl dihydrogen phosphate
Definition date:	2009-10-21
Last modified:	2024-09-27
Identifier:	3-methylbut-3-en-1-yl dihydrogen phosphate

JY1

JY1
Name:	bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium
Formula:	C36 H74 N6 O6 P4 Rh
SMILES:	C(C)P(CC)(CNCC(NCCN1C(CCC1=O)=O)=O)[Rh](P(CC)(CC)C)(P(CC)(CC)CNCC(NCCN2C(CCC2=O)=O)=O)P(C)(CC)CC
InChi:	InChI=1S/2C13H24N3O3P.2C5H13P.Rh/c2*1-3-20(4-2)10-14-9-11(17)15-7-8-16-12(18)5-6-13(16)19
Definition date:	2018-10-16
Last modified:	2024-09-27
Release date:	2019-02-06
Identifier:	bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium (non-preferred name)

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