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881692-04-2 | L-Phenylalanine, L-valyl-L-lysyl-L-phenylalanyl-L-tryptophyl-
CAS No: 881692-04-2 Catalog No: AG004DTF MDL No:
Product Description
Catalog Number:
AG004DTF
Chemical Name:
L-Phenylalanine, L-valyl-L-lysyl-L-phenylalanyl-L-tryptophyl-
CAS Number:
881692-04-2
Molecular Formula:
C40H51N7O6
Molecular Weight:
725.8762
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C40H51N7O6/c1-25(2)35(42)39(51)44-31(19-11-12-20-41)36(48)45-32(21-26-13-5-3-6-14-26)37(49)46-33(23-28-24-43-30-18-10-9-17-29(28)30)38(50)47-34(40(52)53)22-27-15-7-4-8-16-27/h3-10,13-18,24-25,31-35,43H,11-12,19-23,41-42H2,1-2H3,(H,44,51)(H,45,48)(H,46,49)(H,47,50)(H,52,53)/t31-,32-,33-,34-,35-/m0/s1
InChI Key:
XTXZATUSECUJTH-ZZTWKDBPSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1c[nH]c2c1cccc2)Cc1ccccc1)NC(=O)[C@H](C(C)C)N
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
725.39g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
725.891g/mol
Monoisotopic Mass:
725.39g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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