(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanamide
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![(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0598cda2b1ee410f91ae53299294e798.png "(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanamide")
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanamide
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CAS No:
139026-55-4
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Formula:
C21H35N7O4
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Chemical Name:
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanamide
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Synonyms:
Antho-RIamide II;Tyr-Arg-Ile-NH2;tyrosyl-arginyl-isoleucinamide;Antho-riamide II;139026-55-4;(S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)-5-guanidinopentanamide;Tyr-arg-ile-NH2;Tyrosyl-arginyl-isoleucinamide;DTXSID50930282;L-Isoleucinamide, L-tyrosyl-L-arginyl-;2-{[2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-5-carbamimidamido-N-(1-hydroxy-1-imino-3-methylpentan-2-yl)pentanimidic acid
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CAS No:
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanamide Basic Attributes
449.5 g/mol
449.27505262 g/mol
Computed Properties
Molecular Weight:449.5
XLogP3:-1.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:449.27505262
Monoisotopic Mass:449.27505262
Topological Polar Surface Area:212
Heavy Atom Count:32
Complexity:646
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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