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141497-11-2 | Glycinamide, L-tyrosyl-L-arginylglycyl-L-prolyl- (9CI)
CAS No: 141497-11-2 Catalog No: AG001GI5 MDL No:
Product Description
Catalog Number:
AG001GI5
Chemical Name:
Glycinamide, L-tyrosyl-L-arginylglycyl-L-prolyl- (9CI)
CAS Number:
141497-11-2
Molecular Formula:
C24H37N9O6
Molecular Weight:
547.6073
IUPAC Name:
1-[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C24H37N9O6/c25-16(11-14-5-7-15(34)8-6-14)21(37)32-17(3-1-9-29-24(27)28)22(38)31-13-20(36)33-10-2-4-18(33)23(39)30-12-19(26)35/h5-8,16-18,34H,1-4,9-13,25H2,(H2,26,35)(H,30,39)(H,31,38)(H,32,37)(H4,27,28,29)
InChI Key:
BXMYYNBVRKSXAN-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@H](Cc1ccc(cc1)O)N
Properties
Complexity:
903
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.287g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
547.617g/mol
Monoisotopic Mass:
547.287g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
261A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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