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160248-31-7 | L-Tyrosine, L-tryptophyl-L-arginyl-
CAS No: 160248-31-7 Catalog No: AG001RTA MDL No:
Product Description
Catalog Number:
AG001RTA
Chemical Name:
L-Tyrosine, L-tryptophyl-L-arginyl-
CAS Number:
160248-31-7
Molecular Formula:
C26H33N7O5
Molecular Weight:
523.5841
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C26H33N7O5/c27-19(13-16-14-31-20-5-2-1-4-18(16)20)23(35)32-21(6-3-11-30-26(28)29)24(36)33-22(25(37)38)12-15-7-9-17(34)10-8-15/h1-2,4-5,7-10,14,19,21-22,31,34H,3,6,11-13,27H2,(H,32,35)(H,33,36)(H,37,38)(H4,28,29,30)/t19-,21-,22-/m0/s1
InChI Key:
HQVKQINPFOCIIV-BVSLBCMMSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N
Properties
Complexity:
829
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
523.254g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
523.594g/mol
Monoisotopic Mass:
523.254g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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