NCS
China New Chemical Substance Search
Amastatin · HCl
amastatin hydrochloride, MFCD00150636, Aspartic acid, N-(3-amino-2-hydroxy-5-methyl-1-oxohexyl)valylvalyl-, hydrochloride (1:1), N-(3-Amino-2-hydroxy-5-methylhexanoyl)valylvalylaspartic acid hydrochloride (1:1)
CAS Number: 100938-10-1
IUPAC name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid;hydrochloride
Molecular formula: C21H39ClN4O8
Molecular weight: 511.009
InChI: InChI=1S/C21H38N4O8.ClH/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27;/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33);1H/t12-,13+,15+,16+,17+;/m1./s1
InChIKey: GBDUPCKQTDKNLS-PORDUOSCSA-N
SMILES: -
EINECS: CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N.Cl
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