(4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
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![(4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a36c0b25c94e4c6caea781fa89846e41.png "(4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid")
(4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
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CAS No:
85205-64-7
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Formula:
C27H41N9O9
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Chemical Name:
(4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
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Synonyms:
S 2423;S-2423;85205-64-7;DTXSID601005681;L-Argininamide, N-acetyl-L-isoleucyl-L-alpha-glutamylglycyl-N-(4-nitrophenyl)-;5-Hydroxy-4-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-methylpentylidene}amino)-5-[(2-hydroxy-2-{[N~2~-(4-nitrophenyl)arginyl]imino}ethyl)imino]pentanoic acid
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CAS No:
(4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid Basic Attributes
635.7 g/mol
635.30272392 g/mol
Computed Properties
Molecular Weight:635.7
XLogP3:-0.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:18
Exact Mass:635.30272392
Monoisotopic Mass:635.30272392
Topological Polar Surface Area:293
Heavy Atom Count:45
Complexity:1080
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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