AG003SPX

4299-03-0 | (S)-N-(1-Amino-5-guanidino-1-oxopentan-2-yl)benzamide hydrochloride

AG003SPX

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CAS Number	4299-03-0
Catalog Number	AG003SPX(AGN-PC-0RR9CS)
Chemical Name	(S)-N-(1-Amino-5-guanidino-1-oxopentan-2-yl)benzamide hydrochloride
EC Number	224-307-6
IUPAC Name	N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrochloride
InChI	InChI=1S/C13H19N5O2.ClH/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H2,14,19)(H,18,20)(H4,15,16,17);1H/t10-;/m0./s1
InChI Key	PYZACNCNNFUUDO-PPHPATTJSA-N
MDL Number	MFCD00035003
Molecular Formula	C13H20ClN5O2
Molecular Weight	313.7832
SMILES	O=C(N[C@@H](CCCNC(N)=N)C(N)=O)C1=CC=CC=C1.[H]Cl
Synonyms	N(alpha)-benzoylarginineamide, N(alpha)-benzoylarginineamide monohydrochloride, (s)-isomer, N(alpha)-benzoylarginineamide monohydrochloride, monosodium salt., (S)-isomer, N-alpha-benzoylarginineamide, N-BAA, N-benzoyl-L-argininamide, 4299-03-0, (S)-N-(1-Amino-5-guanidino-1-oxopentan-2-yl)benzamide hydrochloride, N-alpha-Benzoyl-L-argininamide hydrochloride, Bz-Arg-NH HCl, B-0760, 965-03-7, Benzoyl-arginine amide monohydrochloride monihydrate, N-Alpha-benzoyl-l-argininamide HCl, MFCD00035003, benzoyl-l-arginine amide hydrochloride, AKOS015905249, ACM4299030, KS-0000157L, N-Benzoyl-L-arginine amide hydrochloride, AK116898, AX8143168, B0102, FT-0656994, ST24036347, K-8877, Nalpha-Benzoyl-L-argininamideHydrochlorideMonohydrate, Bz-Arg-NH2 HCl, N-BAA, N-Benzoyl-L-argininamide, Nalpha-Benzoylarginineamide, N(alpha)-Benzoylarginineamide, C13H19N5O2.ClH, Nalpha-benzoyl-L-argininamide HCl, C13-H19-N5-O2.Cl-H, EINECS 224-307-6, Nalpha-benzoyl-L-argininamide hydrochloride, Benzamide, N-(1-carbamoyl-4-guanidinobutyl)-, L-, Benzamide, N-[1-(aminocarbonyl)-4-[(aminoiminomethyl)amino]butyl]-, (S)-, Benzamide, N-(1-(aminocarbonyl)-4-((aminoiminomethyl)amino)butyl)-, monohydrochloride, (S)-,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	313.131g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	313.786g/mol
Monoisotopic Mass	313.131g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	137A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number