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245427-08-1 | L-Arginine, L-tyrosyl-L-valylglycyl-L-prolyl- (9CI)
CAS No: 245427-08-1 Catalog No: AG002OHA MDL No:
Product Description
Catalog Number:
AG002OHA
Chemical Name:
L-Arginine, L-tyrosyl-L-valylglycyl-L-prolyl- (9CI)
CAS Number:
245427-08-1
Molecular Formula:
C27H42N8O7
Molecular Weight:
590.6718
IUPAC Name:
(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C27H42N8O7/c1-15(2)22(34-23(38)18(28)13-16-7-9-17(36)10-8-16)25(40)32-14-21(37)35-12-4-6-20(35)24(39)33-19(26(41)42)5-3-11-31-27(29)30/h7-10,15,18-20,22,36H,3-6,11-14,28H2,1-2H3,(H,32,40)(H,33,39)(H,34,38)(H,41,42)(H4,29,30,31)/t18-,19-,20-,22-/m0/s1
InChI Key:
JSFTUZZDVVYNNR-XWUOBKMESA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)N
Properties
Complexity:
980
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
590.318g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
590.682g/mol
Monoisotopic Mass:
590.318g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
256A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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