CalpinactaM
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CalpinactaM
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CAS No:
1205538-83-5
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Formula:
C38H57N9O8
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Chemical Name:
CalpinactaM
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Synonyms:
calpinactam;D-phenylalanyl-L-leucyl-L-histidyl-D-alpha-glutamyl-N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-D-alloisoleucinamide;CHEMBL2204376;J-004358;(4R)-4-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-[[(1R,2S)-2-methyl-1-[[(3S)-2-oxoazepan-3-yl]carbamoyl]butyl]amino]-5-oxo-pentanoic acid;(4R)-4-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(2R,3S)-3-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
Computed Properties
Molecular Weight:767.9
XLogP3:-0.6
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:21
Exact Mass:767.43300981
Monoisotopic Mass:767.43300981
Topological Polar Surface Area:267
Heavy Atom Count:55
Complexity:1310
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes