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209623-54-1 | L-Prolinamide, glycyl-L-histidyl-L-arginyl-
CAS No: 209623-54-1 Catalog No: AG002KC1 MDL No:
Product Description
Catalog Number:
AG002KC1
Chemical Name:
L-Prolinamide, glycyl-L-histidyl-L-arginyl-
CAS Number:
209623-54-1
Molecular Formula:
C19H32N10O4
Molecular Weight:
464.5220
IUPAC Name:
(2S)-1-[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C19H32N10O4/c20-8-15(30)27-13(7-11-9-24-10-26-11)17(32)28-12(3-1-5-25-19(22)23)18(33)29-6-2-4-14(29)16(21)31/h9-10,12-14H,1-8,20H2,(H2,21,31)(H,24,26)(H,27,30)(H,28,32)(H4,22,23,25)/t12-,13-,14-/m0/s1
InChI Key:
FFSSGCULYCDLRM-IHRRRGAJSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)CCCNC(=N)N)Cc1nc[nH]c1
Properties
Complexity:
742
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
464.261g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
464.531g/mol
Monoisotopic Mass:
464.261g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
241A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.3
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