2-[(4R,7S,13S,16R)-16-acetamido-4-carbamoyl-13-[3-(diaminomethylideneamino)propyl]-3,3,14-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadec-7-yl]acetic acid
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![2-[(4R,7S,13S,16R)-16-acetamido-4-carbamoyl-13-[3-(diaminomethylideneamino)propyl]-3,3,14-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadec-7-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b659789550ea456b92a8c683351f43bc.png "2-[(4R,7S,13S,16R)-16-acetamido-4-carbamoyl-13-[3-(diaminomethylideneamino)propyl]-3,3,14-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadec-7-yl]acetic acid")
2-[(4R,7S,13S,16R)-16-acetamido-4-carbamoyl-13-[3-(diaminomethylideneamino)propyl]-3,3,14-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadec-7-yl]acetic acid
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CAS No:
126053-71-2
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Formula:
C23H39N9O8S2
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Chemical Name:
2-[(4R,7S,13S,16R)-16-acetamido-4-carbamoyl-13-[3-(diaminomethylideneamino)propyl]-3,3,14-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadec-7-yl]acetic acid
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Synonyms:
Ac-cyclo-S,S-(Cys-(N(alpha)-Me)Arg-Gly-Asp-Pen)-NH2;SK and F 106760;SK and F-106760;SKF 106760;SK&F 106760;126053-71-2;Skf 106760;SK&F-106760;Ac-Cyclo-S,S-(cys-(N(alpha)-Me)arg-gly-asp-pen)-NH2;DTXSID60925386;2-[(4R,7S,13S,16R)-16-acetamido-4-carbamoyl-13-[3-(diaminomethylideneamino)propyl]-3,3,14-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadec-7-yl]acetic acid;N-Acetyl-L-cysteinyl-N2-methyl-L-arginylglycyl-L-alpha-aspartyl-3-mercapto-L-valinamide cyclic (1-5)-disulfide;{13-(3-Carbamimidamidopropyl)-6,9,12-trihydroxy-16-[(1-hydroxyethylidene)amino]-4-[hydroxy(imino)methyl]-3,3,14-trimethyl-15-oxo-1,2-dithia-5,8,11,14-tetraazacycloheptadeca-5,8,11-trien-7-yl}acetic ac;L-Valinamide, N-acetyl-L-cysteinyl-N2-methyl-L-arginylglycyl-L-alpha-aspartyl-3-mercapto-, cyclic (1-5)-disulfide
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CAS No:
2-[(4R,7S,13S,16R)-16-acetamido-4-carbamoyl-13-[3-(diaminomethylideneamino)propyl]-3,3,14-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadec-7-yl]acetic acid Basic Attributes
633.7 g/mol
633.23630158 g/mol
Computed Properties
Molecular Weight:633.7
XLogP3:-4.1
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:633.23630158
Monoisotopic Mass:633.23630158
Topological Polar Surface Area:332
Heavy Atom Count:42
Complexity:1080
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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