(2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl]-3-hydroxybutanamide
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![(2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl]-3-hydroxybutanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2532168ce9104c66b7c92aaeb7680977.png "(2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl]-3-hydroxybutanamide")
(2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl]-3-hydroxybutanamide
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CAS No:
126088-92-4
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Formula:
C35H39N5O6
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Chemical Name:
(2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl]-3-hydroxybutanamide
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Synonyms:
Ac-Thr-Trp(CHO)-Phe-N-MeBzl;FR 113680;FR-113680;N(alpha)-(N(alpha)-(N(alpha)-acetylthreonyl)-N(1)-formyltryptophyl)-N-methyl-N-(phenylmethyl)phenylalaninamide;FR 113680;126088-92-4;L-Phenylalaninamide, N-acetyl-L-threonyl-1-formyl-D-tryptophyl-N-methyl-N-(phenylmethyl)-;Ac-Thr-trp(cho)-phe-N-mebzl;DTXSID70155076;fr113680;N(alpha)-(N(alpha)-(N(alpha)-Acetylthreonyl)-N(1)-formyltryptophyl)-N-methyl-N-(phenylmethyl)phenylalaninamide
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CAS No:
(2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl]-3-hydroxybutanamide Basic Attributes
625.7 g/mol
625.29003398 g/mol
DTXSID70155076
Computed Properties
Molecular Weight:625.7
XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:625.29003398
Monoisotopic Mass:625.29003398
Topological Polar Surface Area:155
Heavy Atom Count:46
Complexity:1060
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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