(2S,3S)-N-[(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoyl]-2-[[(1,3-dioxoisoindol-2-yl)methyl-phenylmethoxyphosphoryl]amino]-3-methylpentanamide
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![(2S,3S)-N-[(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoyl]-2-[[(1,3-dioxoisoindol-2-yl)methyl-phenylmethoxyphosphoryl]amino]-3-methylpentanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4b6574778294447a95f988a0ef28c3fd.png "(2S,3S)-N-[(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoyl]-2-[[(1,3-dioxoisoindol-2-yl)methyl-phenylmethoxyphosphoryl]amino]-3-methylpentanamide")
(2S,3S)-N-[(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoyl]-2-[[(1,3-dioxoisoindol-2-yl)methyl-phenylmethoxyphosphoryl]amino]-3-methylpentanamide
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CAS No:
125009-80-5
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Formula:
C40H42N5O6P
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Chemical Name:
(2S,3S)-N-[(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoyl]-2-[[(1,3-dioxoisoindol-2-yl)methyl-phenylmethoxyphosphoryl]amino]-3-methylpentanamide
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Synonyms:
Phthaloyl-gly(P)-ile-trp-nhbzl; PGITN; L-Tryptophanamide,N-(((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)(phenylmethoxy)phosphinyl)-L-isoleucyl-N-(phenylmethyl); PP 607; Phthaloyl-glycyl(P)-isoleucyl-tryptophyl-benzylamide;
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CAS No:
(2S,3S)-N-[(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoyl]-2-[[(1,3-dioxoisoindol-2-yl)methyl-phenylmethoxyphosphoryl]amino]-3-methylpentanamide Basic Attributes
719.76500
719.28727107
Drug Information
Compounds that inhibit the enzyme activity or activation of MATRIX METALLOPROTEINASES. (See all compounds classified as Matrix Metalloproteinase Inhibitors.)
PGITN
Computed Properties
Molecular Weight:719.8
XLogP3:5.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:16
Exact Mass:719.28727107
Monoisotopic Mass:719.28727107
Topological Polar Surface Area:150
Heavy Atom Count:52
Complexity:1260
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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