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1442-79-1 | L-Argininamide, N-[(phenylmethoxy)carbonyl]glycylglycyl-N-2-naphthalenyl-, monohydrochloride (9CI)
CAS No: 1442-79-1 Catalog No: AG001J4A MDL No:
Product Description
Catalog Number:
AG001J4A
Chemical Name:
L-Argininamide, N-[(phenylmethoxy)carbonyl]glycylglycyl-N-2-naphthalenyl-, monohydrochloride (9CI)
CAS Number:
1442-79-1
Molecular Formula:
C28H34ClN7O5
Molecular Weight:
584.0665
IUPAC Name:
benzyl N-[2-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate;hydrochloride
InChI:
InChI=1S/C28H33N7O5.ClH/c29-27(30)31-14-6-11-23(26(38)34-22-13-12-20-9-4-5-10-21(20)15-22)35-25(37)17-32-24(36)16-33-28(39)40-18-19-7-2-1-3-8-19;/h1-5,7-10,12-13,15,23H,6,11,14,16-18H2,(H,32,36)(H,33,39)(H,34,38)(H,35,37)(H4,29,30,31);1H/t23-;/m0./s1
InChI Key:
BVFJVGPYUPGGDO-BQAIUKQQSA-N
SMILES:
O=C(N[C@H](C(=O)Nc1ccc2c(c1)cccc2)CCCNC(=N)N)CNC(=O)CNC(=O)OCc1ccccc1.Cl
Properties
Complexity:
873
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
583.231g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
584.074g/mol
Monoisotopic Mass:
583.231g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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