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(2S)-[({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)amino](phenyl)ethanoic acid

Catalog ID
STK602700
SMILES O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)N[C@@H](c1ccccc1)C(=O)O

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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 C23H24N4O4 MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4/c28-21(24-20(23(30)31)16-6-2-1-3-7-16)17-12-10-15(11-13-17)14-27-22(29)18-8-4-5-9-19(18)25-26-27/h1-9,15,17,20H,10-14H2,(H,24,28)(H,30,31)/t15?,17?,20-/m0/s1
InChIKey
HCALKPNAORYWSW-LAGYLCCXSA-N
Synonyms
1217458-07-5
(2S)(((4((4oxo123benzotriazin3(4H)yl)methyl)cyclohexyl)carbonyl)amino)(phenyl)ethanoicacid
(2S)2((4((4KETO123BENZOTRIAZIN3YL)METHYL)CYCLOHEXANECARBONYL)AMINO)2PHENYLACETICACID
(2S)2((4((4OXIDANYLIDENE123BENZOTRIAZIN3YL)METHYL)CYCLOHEXYL)CARBONYLAMINO)2PHENYLETHANOICACID
(2S)2((4((4OXO123BENZOTRIAZIN3YL)METHYL)CYCLOHEXANECARBONYL)AMINO)2PHENYLACETICACID
(2S)2((OXO(4((4OXO123BENZOTRIAZIN3YL)METHYL)CYCLOHEXYL)METHYL)AMINO)2PHENYLACETICACID
(S)((4(4OXO4HBENZO(D)(123)TRIAZIN3YLMETHYL)CYCLOHEXANECARBONYL)AMINO)PHENYLACETICACID
(S)2(4((4oxobenzo(d)(123)triazin3(4H)yl)methyl)cyclohexanecarboxamido)2phenylaceticacid
1217458075
C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)NC(C4=CC=CC=C4)C(=O)O
InChI=1SC23H24N4O4c2821(2420(23(30)31)166213716)17121015(111317)142722(29)18845919(18)252627h19151720H1014H2(H2428)(H3031)t15?17?20m0s1
MFCD06613082
O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)N(C@@H)(c1ccccc1)C(=O)O
ZINC000006658602
ZINC6658602

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Available files

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