2-[(1R,3R)-3-[[(2S,3S)-2-Azido-3-methyl-1-oxopentyl]amino]-1-hydroxy-4-methylpentyl]-4-thiazolecarboxylic Acid Methyl Ester - CAS 921927-93-7

Catalog:	BB074230
Product Name:	2-[(1R,3R)-3-[[(2S,3S)-2-Azido-3-methyl-1-oxopentyl]amino]-1-hydroxy-4-methylpentyl]-4-thiazolecarboxylic Acid Methyl Ester
CAS:	921927-93-7
Synonyms:	methyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate; 2-[(1R,3R)-1-Hydroxy-3-[[(2S,3S)-2-azido-3-methylpentanoyl]amino]-4-methylpentyl]thiazole-4-carboxylic acid methyl ester; 2-[(1R,3R)-3-[[(2S,3S)-2-Azido-3-methyl-1-oxopentyl]amino]-1-hydroxy-4-methylpentyl]-4-thiazolecarboxylic Acid Methyl Ester

Technical Data

IUPAC Name:	methyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate
Molecular Weight:	397.49
Molecular Formula:	C17H27N5O4S
Canonical SMILES:	CCC(C)C(C(=O)NC(CC(C1=NC(=CS1)C(=O)OC)O)C(C)C)N=[N+]=[N-]
InChI:	InChI=1S/C17H27N5O4S/c1-6-10(4)14(21-22-18)15(24)19-11(9(2)3)7-13(23)16-20-12(8-27-16)17(25)26-5/h8-11,13-14,23H,6-7H2,1-5H3,(H,19,24)/t10-,11+,13+,14-/m0/s1
InChI Key:	MVXXQXZCKPUWEY-UNJBNNCHSA-N

Complexity:	555
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	4
Defined Bond Stereocenter Count:	0
Exact Mass:	397.17837553
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	397.17837553
Rotatable Bond Count:	11
Topological Polar Surface Area:	131Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2