L-Isoleucyl-L-methionine - CAS 42384-14-5

Catalog:	BB056343
Product Name:	L-Isoleucyl-L-methionine
CAS:	42384-14-5
Synonyms:	1176: PN: EP2071334 SEQID: 1248 Claimed Protein; 1176: PN: WO2009077864 SEQID: 1248 Claimed Protein; 41: PN: EP2161028 PAGE: 9 Claimed Protein; 82: PN: WO2020097235 SEQID: 312 Claimed Protein

Technical Data

IUPAC Name:	(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
Description:	L-Isoleucyl-L-methionine can be used for anti-hypertensive drug or health care products.
Molecular Weight:	262.37
Molecular Formula:	C11H22N2O3S
Canonical SMILES:	CCC(C)C(C(=O)NC(CCSC)C(=O)O)N
InChI:	InChI=1S/C11H22N2O3S/c1-4-7(2)9(12)10(14)13-8(11(15)16)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1
InChI Key:	TUYOFUHICRWDGA-CIUDSAMLSA-N
References:	Pan, W., et.al., PCT Int. Appl., 10, (2019).

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	262.13511374
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	262.13511374
Rotatable Bond Count:	8
Topological Polar Surface Area:	118Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.4