(8S,11S,14S)-11-benzyl-3,9,12-trioxo-1,4,10,13,17-pentazatricyclo[14.2.1.04,8]nonadeca-16(19),17-diene-14-carboxylic acid
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![(8S,11S,14S)-11-benzyl-3,9,12-trioxo-1,4,10,13,17-pentazatricyclo[14.2.1.04,8]nonadeca-16(19),17-diene-14-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/832b37714a864ade8cd4289fecdf2054.png "(8S,11S,14S)-11-benzyl-3,9,12-trioxo-1,4,10,13,17-pentazatricyclo[14.2.1.04,8]nonadeca-16(19),17-diene-14-carboxylic acid")
(8S,11S,14S)-11-benzyl-3,9,12-trioxo-1,4,10,13,17-pentazatricyclo[14.2.1.04,8]nonadeca-16(19),17-diene-14-carboxylic acid
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CAS No:
132235-85-9
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Formula:
C22H25N5O5
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Chemical Name:
(8S,11S,14S)-11-benzyl-3,9,12-trioxo-1,4,10,13,17-pentazatricyclo[14.2.1.04,8]nonadeca-16(19),17-diene-14-carboxylic acid
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Synonyms:
CCMPPH;cyclic(3-1)-1-(carboxymethyl)prolyl-phenylalanyl-histidinamide;cyclo(CM-Pro-Phe-His-NH2);Ccmpph;Cyclic(3-1)-1-(carboxymethyl)prolyl-phenylalanyl-histidinamide;132235-85-9;Cyclo(CM-pro-phe-his-NH2);DTXSID20157444;11,8-Metheno-1H-pyrrolo(1,2-f)(1,3,6,9,12)pentaazacyclopentadecine-6-carboxylic acid, 2,3,4,5,6,7,12,13,15,16,17,17a-dodecahydro-1,4,13-trioxo-3-(phenylmethyl)-, (3S-(3R*,6R*,17aR*))-
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CAS No:
(8S,11S,14S)-11-benzyl-3,9,12-trioxo-1,4,10,13,17-pentazatricyclo[14.2.1.04,8]nonadeca-16(19),17-diene-14-carboxylic acid Basic Attributes
439.5 g/mol
439.18556891 g/mol
DTXSID20157444
Computed Properties
Molecular Weight:439.5
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:439.18556891
Monoisotopic Mass:439.18556891
Topological Polar Surface Area:134
Heavy Atom Count:32
Complexity:740
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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