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177194-76-2 | L-Tryptophan, L-tryptophyl-L-arginyl-L-prolyl-
CAS No: 177194-76-2 Catalog No: AG00255J MDL No:
Product Description
Catalog Number:
AG00255J
Chemical Name:
L-Tryptophan, L-tryptophyl-L-arginyl-L-prolyl-
CAS Number:
177194-76-2
Molecular Formula:
C33H41N9O5
Molecular Weight:
643.7359
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C33H41N9O5/c34-23(15-19-17-38-24-9-3-1-7-21(19)24)29(43)40-26(11-5-13-37-33(35)36)31(45)42-14-6-12-28(42)30(44)41-27(32(46)47)16-20-18-39-25-10-4-2-8-22(20)25/h1-4,7-10,17-18,23,26-28,38-39H,5-6,11-16,34H2,(H,40,43)(H,41,44)(H,46,47)(H4,35,36,37)/t23-,26-,27-,28-/m0/s1
InChI Key:
YVMQKTKXPOOGGE-WHHDSKRTSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
643.323g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
643.749g/mol
Monoisotopic Mass:
643.323g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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