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137005-17-5 | L-Arginine, mono[(4R)-5-[(3-methoxypropyl)pentylamino]-4-[(2-naphthalenylsulfonyl)methyl]-5-oxopentanoate] (9CI)
CAS No: 137005-17-5 Catalog No: AG0012PP MDL No:
Product Description
Catalog Number:
AG0012PP
Chemical Name:
L-Arginine, mono[(4R)-5-[(3-methoxypropyl)pentylamino]-4-[(2-naphthalenylsulfonyl)methyl]-5-oxopentanoate] (9CI)
CAS Number:
137005-17-5
Molecular Formula:
C31H49N5O8S
Molecular Weight:
651.8145
IUPAC Name:
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(4R)-5-[3-methoxypropyl(pentyl)amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid
InChI:
InChI=1S/C25H35NO6S.C6H14N4O2/c1-3-4-7-15-26(16-8-17-32-2)25(29)22(12-14-24(27)28)19-33(30,31)23-13-11-20-9-5-6-10-21(20)18-23;7-4(5(11)12)2-1-3-10-6(8)9/h5-6,9-11,13,18,22H,3-4,7-8,12,14-17,19H2,1-2H3,(H,27,28);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t22-;4-/m00/s1
InChI Key:
TXTJVOOURRNANH-QEXBQMGZSA-N
SMILES:
NC(=NCCC[C@@H](C(=O)O)N)N.CCCCCN(C(=O)[C@H](CS(=O)(=O)c1ccc2c(c1)cccc2)CCC(=O)O)CCCOC
Properties
Complexity:
881
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
651.33g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
651.82g/mol
Monoisotopic Mass:
651.33g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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