(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-[(prop-2-en-1-yl)amino]-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate

Compound number
MolPort-003-983-836
CAS number
75747-14-7
IUPAC
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-[(prop-2-en-1-yl)amino]-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
IUPAC traditional
tanespimycin
SMILES
CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34|
InChI key
AYUNIORJHRXIBJ-TXHRRWQRSA-N
Molecular formula
Molecular weight
585.698
Solubility
not available

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More Information

Compound identifiers

Compound number
MolPort-003-983-836
CAS number
75747-14-7

Names, Synonyms and 3rd Party Identifiers

Name
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-en-1-ylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(Allylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
17-(Allylamino)-17-demethoxygeldanamycin
17-(Allylamino)geldanamycin
17-AAG
17-AAG NSC 330507 CP 127374
17-AAG, 17AAG
17-AAG, CP 127374
17-AAGCP127374KOS 953
17-AAGNSC 330507CP 127374
17-Allylamino-17-demethoxygeldanamycin
17-Allylaminogeldanamycin
17-demethoxy-17-(2-propenylamino)-geldanamycin
17AAG/Tanespimycin, NSC330507, CP 127374
ALLYLAMINOGELDANAMYCIN 17-
Geldanamycin,Tanespimycin
NSC 330507 | 17-(Allylamino)-17-demethoxygeldanamycin |
Tanespimycin
Tanespimycin (17-AAG)
Tanespimycin, Geldanamycin, NSC330507
MFCD04973892

InChI

InChI
1/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
InChI key
AYUNIORJHRXIBJ-TXHRRWQRSA-N

Formula

Molecular formula
C31H43N3O8
Molecular weight
585.698

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