2-[(5S,11S,14S)-11-[3-(diaminomethylideneamino)propyl]-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid
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![2-[(5S,11S,14S)-11-[3-(diaminomethylideneamino)propyl]-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ae5ec8a0c0874557b28ae46a212eafc8.png "2-[(5S,11S,14S)-11-[3-(diaminomethylideneamino)propyl]-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid")
2-[(5S,11S,14S)-11-[3-(diaminomethylideneamino)propyl]-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid
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CAS No:
153381-95-4
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Formula:
C25H33F3N8O9
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Chemical Name:
2-[(5S,11S,14S)-11-[3-(diaminomethylideneamino)propyl]-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid
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Synonyms:
Cyclo(Ala-Arg-Gly-Asp-3-Aminomethylbenzoyl); XJ735;
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CAS No:
2-[(5S,11S,14S)-11-[3-(diaminomethylideneamino)propyl]-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid Basic Attributes
646.57300
646.23225915
DTXSID40746733
Computed Properties
Molecular Weight:646.6
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:646.23225915
Monoisotopic Mass:646.23225915
Topological Polar Surface Area:285
Heavy Atom Count:45
Complexity:1020
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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