benzyl N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-20-(phenylmethoxycarbonylamino)-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]carbamate
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benzyl N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-20-(phenylmethoxycarbonylamino)-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]carbamate
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CAS No:
63520-00-3
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Formula:
C44H58N8O14S2
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Chemical Name:
benzyl N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-20-(phenylmethoxycarbonylamino)-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]carbamate
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Synonyms:
BOCANTA;63520-00-3;NSC 350855;NSC350855;NSC-350855;L-Valine, N-((phenylmethoxy)carbonyl)-D-seryl-L-alanyl-L-cysteinyl-,bimol. (4->1'),(4'->1)-dilactone, cyclic (3->3')-disulfide 8,4,4
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CAS No:
benzyl N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-20-(phenylmethoxycarbonylamino)-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]carbamate Basic Attributes
987.1 g/mol
986.35139090 g/mol
350855
Computed Properties
Molecular Weight:987.1
XLogP3:2.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:10
Exact Mass:986.35139090
Monoisotopic Mass:986.35139090
Topological Polar Surface Area:355
Heavy Atom Count:68
Complexity:1670
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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