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122409-34-1 | L-Tryptophan, L-tyrosyl-L-prolyl-L-prolyl-
CAS No: 122409-34-1 Catalog No: AG00177D MDL No:
Product Description
Catalog Number:
AG00177D
Chemical Name:
L-Tryptophan, L-tyrosyl-L-prolyl-L-prolyl-
CAS Number:
122409-34-1
Molecular Formula:
C30H35N5O6
Molecular Weight:
561.6288
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C30H35N5O6/c31-22(15-18-9-11-20(36)12-10-18)28(38)35-14-4-8-26(35)29(39)34-13-3-7-25(34)27(37)33-24(30(40)41)16-19-17-32-23-6-2-1-5-21(19)23/h1-2,5-6,9-12,17,22,24-26,32,36H,3-4,7-8,13-16,31H2,(H,33,37)(H,40,41)/t22-,24-,25-,26-/m0/s1
InChI Key:
XQROXJBPPLRFJG-GKXKVECMSA-N
SMILES:
Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)N
Properties
Complexity:
971
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
561.259g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
561.639g/mol
Monoisotopic Mass:
561.259g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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