L-3,6-Bis(5-(β-amino-β-carboxyethyl)ethyl)-2,5-diketopiperazine - CAS 1356350-62-3

Name: L-3,6-Bis(5-(β-amino-β-carboxyethyl)ethyl)-2,5-diketopiperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB073288
Product Name:	L-3,6-Bis(5-(β-amino-β-carboxyethyl)ethyl)-2,5-diketopiperazine
CAS:	1356350-62-3
Synonyms:	L-3,6-Bis(5-(\|A-amino-\|A-carboxyethyl)ethyl)-2,5-diketopiperazine; L-3,6-Bis(5-(beta-amino-beta-carboxyethyl)ethyl)-2,5-diketopiperazine; (2R)-2-amino-3-[2-[(2S,5S)-5-[2-[(2R)-2-amino-2-carboxyethyl]sulfanylethyl]-3,6-dioxopiperazin-2-yl]ethylsulfanyl]propanoic acid; L-3,6-Bis(5-(?-amino-?-carboxyethyl)ethyl)-2,5-diketopiperazine; (2R,2'R)-3,3'-{[(2S,5S)-3,6-Dioxopiperazine-2,5-diyl]bis[(ethane-2,1-diyl)sulfanediyl]}bis(2-aminopropanoic acid) (non-preferred name)

Technical Data

IUPAC Name:	(2R)-2-amino-3-[2-[(2S,5S)-5-[2-[(2R)-2-amino-2-carboxyethyl]sulfanylethyl]-3,6-dioxopiperazin-2-yl]ethylsulfanyl]propanoic acid
Description:	L-3,6-Bis(5-(β-amino-β-carboxyethyl)ethyl)-2,5-diketopiperazine (cas# 1356350-62-3) is a compound useful in organic synthesis.
Molecular Weight:	408.49
Molecular Formula:	C14H24N4O6S2
Canonical SMILES:	C(CSCC(C(=O)O)N)C1C(=O)NC(C(=O)N1)CCSCC(C(=O)O)N
InChI:	InChI=1S/C14H24N4O6S2/c15-7(13(21)22)5-25-3-1-9-11(19)18-10(12(20)17-9)2-4-26-6-8(16)14(23)24/h7-10H,1-6,15-16H2,(H,17,20)(H,18,19)(H,21,22)(H,23,24)/t7-,8-,9-,10-/m0/s1
InChI Key:	UOYAHDLVIBDYQT-XKNYDFJKSA-N
Melting Point:	260-263°C dec.
Solubility:	DMSO, Water + Hydrochloric Acid
Appearance:	White Solid

Complexity:	490
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	4
Defined Bond Stereocenter Count:	0
Exact Mass:	408.11372685
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	10
Hydrogen Bond Donor Count:	6
Isotope Atom Count:	0
Monoisotopic Mass:	408.11372685
Rotatable Bond Count:	12
Topological Polar Surface Area:	235Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-6.4