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C3K

C3K
Name:	(3~{S},6~{S},7~{R},9~{a}~{S})-6-[[(2~{S})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{N}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide
Formula:	C25 H35 N5 O4
SMILES:	CCC(=O)NC[CH]1CC[CH]2C=C[CH](N2C(=O)[CH]1NC(=O)[CH](C)NC)C(=O)NCc3ccccc3
InChi:	InChI=1S/C25H35N5O4/c1-4-21(31)27-15-18-10-11-19-12-13-20(24(33)28-14-17-8-6-5-7-9-17)30(19)25(34)22(18)29-23(32)16(2)26-3/h5-9,12-13,16,18-20,22,26H,4,10-11,14-15H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/t16-,18+,19-,20-,22-/m0/s1
Definition date:	2017-11-10
Last modified:	2024-09-27
Release date:	2018-08-08
Identifier:	(3~{S},6~{S},7~{R},9~{a}~{S})-6-[[(2~{S})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{N}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide

C48

C48
Name:	N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE
Formula:	C22 H26 N4 O4
SMILES:	O=C(N(C)C)C(NC(=O)C(=O)CC(=O)NCCc1ncccc1)Cc2ccccc2
InChi:	InChI=1S/C22H26N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-/m0/s1
Definition date:	1999-08-30
Last modified:	2024-09-27
Identifier:	N~1~-[(1S)-1-benzyl-2-(dimethylamino)-2-oxoethyl]-2-oxo-N~4~-(2-pyridin-2-ylethyl)butanediamide

C49

C49
Name:	4-THIO,5-FLUORO,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:	C10 H15 F N3 O7 P S
SMILES:	O=C1N(C(=S)C(F)(C(=[N@H])N1)C)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C10H15FN3O7PS/c1-10(11)7(12)13-9(16)14(8(10)23)6-2-4(15)5(21-6)3-20-22(17,18)19/h4-6,15H,2-3H2,1H3,(H2,12,13,16)(H2,17,18,19)/t4-,5+,6+,10+/m0/s1
Definition date:	1995-09-15
Last modified:	2024-09-27
Identifier:	2'-deoxy-5-fluoro-5-methyl-6-thioxocytidine 5'-(dihydrogen phosphate)

C4A

C4A
Name:	ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE
Formula:	C28 H33 N5 O5
SMILES:	O=C(c1nc(on1)Cc4ccc(C(=O)NC3Cc2ccccc2C3)cc4)C(NC(=O)OCC)CCCCN
InChi:	InChI=1S/C28H33N5O5/c1-2-37-28(36)31-23(9-5-6-14-29)25(34)26-32-24(38-33-26)15-18-10-12-19(13-11-18)27(35)30-22-16-20-7-3-4-8-21(20)17-22/h3-4,7-8,10-13,22-23H,2,5-6,9,14-17,29H2,1H3,(H,30,35)(H,31,36)/t23-/m0/s1
Definition date:	2006-01-24
Last modified:	2024-09-27
Identifier:	ethyl [(1S)-5-amino-1-({5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}carbonyl)pentyl]carbamate

C4G

C4G
Name:	N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine
Formula:	C9 H21 N5 O2
SMILES:	NC(C(O)=O)CCCNC(=N)NCCCN
InChi:	InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1
Definition date:	2017-09-13
Last modified:	2024-09-27
Release date:	2017-12-13
Identifier:	N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine

C4P

C4P
Name:	N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
Formula:	C24 H29 N3 O4 S
SMILES:	O=C(NC(C(=O)NC(C=O)CSCc1ccccc1)Cc2ccccc2)N3CCOCC3
InChi:	InChI=1S/C24H29N3O4S/c28-16-21(18-32-17-20-9-5-2-6-10-20)25-23(29)22(15-19-7-3-1-4-8-19)26-24(30)27-11-13-31-14-12-27/h1-10,16,21-22H,11-15,17-18H2,(H,25,29)(H,26,30)/t21-,22+/m1/s1
Synonyms:	MORPHOLINE-4-CARBOXYLIC ACID [1-(2-BENZYLSULFANYL-1-FORMYL-ETHYLCARBAMOYL)-2-PHENYL-ETHYL]-AMIDE
Definition date:	2003-02-11
Last modified:	2024-09-27
Identifier:	N-[(1R)-2-(benzylsulfanyl)-1-formylethyl]-Nalpha-(morpholin-4-ylcarbonyl)-L-phenylalaninamide

C4R

C4R
Name:	(R)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium
Formula:	C10 H14 N O2 Rh S
SMILES:	N[CH](C[SH]1C2[CH]3CC[CH]2C4=C3[Rh+]14)C(O)=O
InChi:	InChI=1S/C10H13NO2S.Rh/c11-8(10(12)13)5-14-9-6-1-2-7(9)4-3-6
Synonyms:	(bicyclo [2.2.1] hepta-2-ene)-cystein rhodium
Definition date:	2008-11-11
Last modified:	2024-09-27

C55

C55
Name:	(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid
Formula:	C8 H11 N3 O7
SMILES:	O=C(CO/N=C/C(=O)NCC(=O)O)NCC(=O)O
InChi:	InChI=1S/C8H11N3O7/c12-5(9-2-7(14)15)1-11-18-4-6(13)10-3-8(16)17/h1H,2-4H2,(H,9,12)(H,10,13)(H,14,15)(H,16,17)/b11-1+
Definition date:	2024-02-15
Last modified:	2024-09-27
Release date:	2024-02-21
Identifier:	(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid (non-preferred name)

C5C

C5C
Name:	S-CYCLOPENTYL THIOCYSTEINE
Formula:	C8 H15 N O2 S2
SMILES:	O=C(O)C(N)CSSC1CCCC1
InChi:	InChI=1S/C8H15NO2S2/c9-7(8(10)11)5-12-13-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-(cyclopentyldisulfanyl)-L-alanine

C5S

C5S
Name:	N-formyl-D-aspartic acid
Formula:	C5 H7 N O5
SMILES:	C(C(=O)O)C(C(O)=O)NC=O
InChi:	InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m1/s1
Definition date:	2017-09-13
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	N-formyl-D-aspartic acid

C5W

C5W
Name:	2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid
Formula:	C25 H28 N6 O4
SMILES:	COc1ncc(cc1C(O)=O)c2cc3n[nH]cc3c(c2)c4oc(CN5CCN(CC5)C(C)C)cn4
InChi:	InChI=1S/C25H28N6O4/c1-15(2)31-6-4-30(5-7-31)14-18-12-27-24(35-18)19-8-16(10-22-21(19)13-28-29-22)17-9-20(25(32)33)23(34-3)26-11-17/h8-13,15H,4-7,14H2,1-3H3,(H,28,29)(H,32,33)
Definition date:	2017-11-14
Last modified:	2024-09-27
Release date:	2017-12-20
Identifier:	2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid

C63

C63
Name:	(2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate
Formula:	C20 H43 O5 P
SMILES:	O=P(OCC(OCCCCCC)COCCCCCC)(O)CCCCC
InChi:	InChI=1S/C20H43O5P/c1-4-7-10-12-15-23-18-20(24-16-13-11-8-5-2)19-25-26(21,22)17-14-9-6-3/h20H,4-19H2,1-3H3,(H,21,22)/t20-/m1/s1
Definition date:	2014-04-16
Last modified:	2024-09-27
Release date:	2014-08-27
Identifier:	(2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate

C66

C66
Name:	2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-CYTOSINE
Formula:	C14 H24 N6 O4
SMILES:	O=C1N=C(C=CN1CC(=O)N(C(C(=O)O)CCCCN)CCN)N
InChi:	InChI=1S/C14H24N6O4/c15-5-2-1-3-10(13(22)23)20(8-6-16)12(21)9-19-7-4-11(17)18-14(19)24/h4,7,10H,1-3,5-6,8-9,15-16H2,(H,22,23)(H2,17,18,24)/t10-/m1/s1
Definition date:	2003-02-19
Last modified:	2024-09-27
Identifier:	N~2~-(2-aminoethyl)-N~2~-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-D-lysine

C67

C67
Name:	N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine
Formula:	C9 H18 N4 O4
SMILES:	NC(C(=O)O)CCCNC(=N)NCCC(O)=O
InChi:	InChI=1S/C9H18N4O4/c10-6(8(16)17)2-1-4-12-9(11)13-5-3-7(14)15/h6H,1-5,10H2,(H,14,15)(H,16,17)(H3,11,12,13)/t6-/m0/s1
Definition date:	2017-09-13
Last modified:	2024-09-27
Release date:	2017-12-13
Identifier:	N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine

C6C

C6C
Name:	S-CYCLOHEXYL THIOCYSTEINE
Formula:	C9 H17 N O2 S2
SMILES:	O=C(O)C(N)CSSC1CCCCC1
InChi:	InChI=1S/C9H17NO2S2/c10-8(9(11)12)6-13-14-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-(cyclohexyldisulfanyl)-L-alanine

C6D

C6D
Name:	N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine
Formula:	C9 H20 N4 O3
SMILES:	NC(C(=O)O)CCCNC(=N)NCCCO
InChi:	InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1
Definition date:	2017-09-13
Last modified:	2024-09-27
Release date:	2017-12-13
Identifier:	N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine

C6S

C6S
Name:	(3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
Formula:	C16 H20 B N O5
SMILES:	OB1Oc2c(C[CH]1NC(=O)C3CCCCC3)cccc2C(O)=O
InChi:	InChI=1S/C16H20BNO5/c19-15(10-5-2-1-3-6-10)18-13-9-11-7-4-8-12(16(20)21)14(11)23-17(13)22/h4,7-8,10,13,22H,1-3,5-6,9H2,(H,18,19)(H,20,21)/t13-/m0/s1
Definition date:	2015-12-08
Last modified:	2024-09-27
Release date:	2016-08-17
Identifier:	(3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

C71

C71
Name:	N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)-N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]-L-ALANINAMIDE
Formula:	C23 H36 N4 O5 S2
SMILES:	O=S3(=O)CCC(NC(=O)C(N/C(=N/S(=O)(=O)c1ccccc1)C)CC2(C)CCCC2)(CC3)CN
InChi:	InChI=1S/C23H36N4O5S2/c1-18(27-34(31,32)19-8-4-3-5-9-19)25-20(16-22(2)10-6-7-11-22)21(28)26-23(17-24)12-14-33(29,30)15-13-23/h3-5,8-9,20H,6-7,10-17,24H2,1-2H3,(H,25,27)(H,26,28)/t20-/m0/s1
Definition date:	2006-02-03
Last modified:	2024-09-27
Identifier:	N-[4-(aminomethyl)-1,1-dioxidotetrahydro-2H-thiopyran-4-yl]-3-(1-methylcyclopentyl)-N~2~-[(1E)-N-(phenylsulfonyl)ethanimidoyl]-L-alaninamide

C7A

C7A
Name:	N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide
Formula:	C25 H32 Cl N3 O2
SMILES:	CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1)C(=O)NC1CCCCC1
InChi:	InChI=1S/C25H32ClN3O2/c1-25(2,3)19-11-13-21(14-12-19)29(22(30)16-26)23(18-8-7-15-27-17-18)24(31)28-20-9-5-4-6-10-20/h7-8,11-15,17,20,23H,4-6,9-10,16H2,1-3H3,(H,28,31)/t23-/m1/s1
Definition date:	2021-04-29
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide

C7Q

C7Q
Name:	(3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide
Formula:	C25 H26 Cl N3 O3
SMILES:	Clc1cc2C[CH](NC(=O)c3ccccc3CCC=CCOc1cc2)C(=O)NC4(CC4)C=N
InChi:	InChI=1S/C25H26ClN3O3/c26-20-14-17-9-10-22(20)32-13-5-1-2-6-18-7-3-4-8-19(18)23(30)28-21(15-17)24(31)29-25(16-27)11-12-25/h1,3-5,7-10,14,16,21,27H,2,6,11-13,15H2,(H,28,30)(H,29,31)/b5-1+,27-16-/t21-/m0/s1
Definition date:	2017-11-17
Last modified:	2024-09-27
Release date:	2018-04-11
Identifier:	(3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide

C8D

C8D
Name:	N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE
Formula:	C29 H40 B N4 O8
SMILES:	O=C(N3C(C(=O)NC(B([O-])O)CCO)CC(Oc1nccc2c1cccc2)C3)C(NC(=O)OC4CCCC4)C(C)(C)C
InChi:	InChI=1S/C29H40BN4O8/c1-29(2,3)24(33-28(38)42-19-9-5-6-10-19)27(37)34-17-20(16-22(34)25(36)32-23(13-15-35)30(39)40)41-26-21-11-7-4-8-18(21)12-14-31-26/h4,7-8,11-12,14,19-20,22-24,35,39H,5-6,9-10,13,15-17H2,1-3H3,(H,32,36)(H,33,38)/q-1/t20-,22+,23+,24-/m1/s1
Definition date:	2010-04-23
Last modified:	2024-09-27
Identifier:	N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-L-prolinamide

C8G

C8G
Name:	1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one
Formula:	C18 H24 Cl2 N4 O3
SMILES:	O=C(N1CC(C1)N3CCN(C(CNc2c(cc(c(c2)Cl)Cl)O)=O)CC3)CC
InChi:	InChI=1S/C18H24Cl2N4O3/c1-2-17(26)24-10-12(11-24)22-3-5-23(6-4-22)18(27)9-21-15-7-13(19)14(20)8-16(15)25/h7-8,12,21,25H,2-6,9-11H2,1H3
Definition date:	2017-09-18
Last modified:	2024-09-27
Release date:	2018-05-16
Identifier:	1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one

C8S

C8S
Name:	(2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one
Formula:	C18 H29 N3 O3
SMILES:	C1C2(CC3(CC1(CC(C2)C3)C(N)C(N4C(CC5C4C5)CN)=O)O)O
InChi:	InChI=1S/C18H29N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-9,19-20H2/t10-,11-,12+,13+,14-,16-,17+,18-/m1/s1
Definition date:	2017-09-19
Last modified:	2024-09-27
Release date:	2017-09-27
Identifier:	(2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one

C8V

C8V
Name:	(2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
Formula:	C13 H23 N5 O7 S
SMILES:	O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCCC2)=O)(O)=O
InChi:	InChI=1S/C13H23N5O7S/c19-8-18-7-10(17-25-26(22,23)24)3-4-11(18)13(21)16-15-12(20)9-2-1-5-14-6-9/h8-11,14,17H,1-7H2,(H,15,20)(H,16,21)(H,22,23,24)/t9-,10-,11+/m1/s1
Synonyms:	OPEN FORM - Zidebactam
Definition date:	2017-09-19
Last modified:	2024-09-27
Release date:	2018-08-01
Identifier:	(2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide

C8Y

C8Y
Name:	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile
Formula:	C7 H11 N3 O5 S
SMILES:	O=S(O)(=O)ONC1CCC(C#N)N(C=O)C1
InChi:	InChI=1S/C7H11N3O5S/c8-3-7-2-1-6(4-10(7)5-11)9-15-16(12,13)14/h5-7,9H,1-2,4H2,(H,12,13,14)/t6-,7+/m1/s1
Synonyms:	open form - WCK 4234
Definition date:	2017-09-19
Last modified:	2024-09-27
Release date:	2018-08-01
Identifier:	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile

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