AG00BYZ0

346694-77-7 | BOC-L-BETA-HOMOLYSINE(CBZ)

AG00BYZ0

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CAS Number	346694-77-7
Catalog Number	AG00BYZ0(AGN-PC-0RA1SK)
Chemical Name	BOC-L-BETA-HOMOLYSINE(CBZ)
IUPAC Name	(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-(phenylmethoxycarbonylamino)heptanoic acid
InChI	InChI=1S/C20H30N2O6/c1-20(2,3)28-19(26)22-16(13-17(23)24)11-7-8-12-21-18(25)27-14-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)/t16-/m0/s1
InChI Key	MAHOLRAVFZCBFL-INIZCTEOSA-N
MDL Number	MFCD01862937
Molecular Formula	C20H30N2O6
Molecular Weight	394.4620
SMILES	O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CCCCNC(OCC1=CC=CC=C1)=O
Synonyms	346694-77-7, Boc-L-beta-homolysine(Cbz), (S)-7-(((Benzyloxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)heptanoic acid, boc-l-nw-benzyloxycarbonyl-beta-homolysine, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-(phenylmethoxycarbonylamino)heptanoic acid, (3S)-7-{[(benzyloxy)carbonyl]amino}-3-[(tert-butoxycarbonyl)amino]heptanoic acid, Boc-?-Homolys(Cbz)-OH, MAHOLRAVFZCBFL-INIZCTEOSA-N, Boc-b-HoLys(Z)-OH, Boc-beta-Homolys(Z)-OH, AC1MC55S, SCHEMBL1022850, CTK8F0217, ZINC4240289, MFCD01862937, AKOS015948808, CB-2917, RTR-062265, ACM346694777, AJ-49262, AS-47142, AX8118229, TR-062265, FT-0771364, Z5849, Boc-beta-Homolys(Z)-OH, >=98.0% (TLC), K-7886, (3S)-7-(benzyloxycarbonylamino)-3-(tert-butoxycarbonylamino)enanthic acid, (3S)-7-(benzyloxycarbonylamino)-3-(tert-butoxycarbonylamino)heptanoic acid, (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-(phenylmethoxycarbonylamino)heptanoic acid, Boc-L-beta-Homolysine, C20H30N2O6, CID2761530, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxycarbonylamino-heptanoic Acid, Heptanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-7-[[(phenylmethoxy)carbonyl]amino]-, (3S)-,

Complexity	497
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	394.21g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	394.468g/mol
Monoisotopic Mass	394.21g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	114A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H312-H332
Precuationary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Siginal words

Certificate of Analysis

Lot Number