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beta-hydroxy-3-nitro-N-[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]phenylalanine

Catalog ID
STL003731
SMILES O=C(NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C32H41N3O8 MW 595.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41N3O8/c1-18(36)24-9-10-25-23-8-7-20-16-21(11-13-31(20,2)26(23)12-14-32(24,25)3)34-43-17-27(37)33-28(30(39)40)29(38)19-5-4-6-22(15-19)35(41)42/h4-6,15-16,23-26,28-29,38H,7-14,17H2,1-3H3,(H,33,37)(H,39,40)/b34-21+/t23?,24?,25?,26?,28?,29?,31-,
InChIKey
XILLHXCTVDJURI-TWBLOJHHSA-N
Synonyms

2((2((E)((10R13S)17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3hydroxy3(3nitrophenyl)propanoicacid
2(2((((10R13S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3hydroxy3(3nitrophenyl)propanoicacid
BETAHYDROXY3NITRON(((((3E8XI9XI14XI17XI)20OXOPREGN4EN3YLIDENE)AMINO)OXY)ACETYL)PHENYLALANINE
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=NOCC(=O)NC(C(C5=CC(=CC=C5)(N+)(=O)(O))O)C(=O)O)CCC34C)C
InChI=1SC32H41N3O8c118(36)24910252387201621(111331(202)26(23)121432(2425)3)34431727(37)3328(30(39)40)29(38)1954622(1519)35(41)42h4615162326282938H71417H213H3(H3337)(H3940)b3421+t23?24?25?26?28?29?3132+m0s1
MFCD06766029
O=C(NC(C(c1cccc(c1)(N+)(=O)(O))O)C(=O)O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(=O)C)C)C
ZINC000257173798
ZINC000257173801

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Available files

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