AG008UZI

121080-96-4 | D-HOMOCITRULLINE

AG008UZI

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CAS Number	121080-96-4
Catalog Number	AG008UZI(AGN-PC-0PFGGF)
Chemical Name	D-HOMOCITRULLINE
IUPAC Name	(2R)-2-amino-6-(carbamoylamino)hexanoic acid
InChI	InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m1/s1
InChI Key	XIGSAGMEBXLVJJ-RXMQYKEDSA-N
MDL Number	MFCD00237406
Molecular Formula	C7H15N3O3
Molecular Weight	189.2123
SMILES	N[C@H](CCCCNC(=O)N)C(=O)O
UNII	837O9SMA7A
Synonyms	121080-96-4, D-HOMOCITRULLINE, (R)-2-Amino-6-ureidohexanoic acid, H-D-Hcit-OH, H-D-Homocit-OH, H-D-Lys(carbamoyl)-OH, UNII-837O9SMA7A, 837O9SMA7A, D-Lysine,N6-(aminocarbonyl)-, D-Homo-citrulline, AK-49299, Homocitrulline, D-, AC1OCSPV, N-Epsilon-carbamoyl-D-lysine, N6-(Aminocarbonyl)-D-lysine, SCHEMBL8871251, CTK4B2169, D-Lysine, N6-(aminocarbonyl)-, DTXSID80426461, KS-00000K9T, ZINC2041822, 3682AA, ANW-60635, MFCD00237406, AKOS016843065, AJ-33313, AK-87794, AS-10227, AB0071075, AX8031636, RT-012193, FT-0771185, ST24035351, (2R)-2-amino-6-(carbamoylamino)hexanoic acid, K-1503, 080H964, J-004439, I14-38651, L-Homocitrulline, C7H15N3O3, (R)-2-Amino-6-ureidohexanoicacid, CID7000023, (R)-2-AMINO-6-UREIDO-HEXANOIC ACID, 1190-49-4,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	189.111g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	189.215g/mol
Monoisotopic Mass	189.111g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number