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824951-99-7 | L-Phenylalanine, glycyl-L-valyl-L-arginyl-L-phenylalanyl-
CAS No: 824951-99-7 Catalog No: AG00504P MDL No:
Product Description
Catalog Number:
AG00504P
Chemical Name:
L-Phenylalanine, glycyl-L-valyl-L-arginyl-L-phenylalanyl-
CAS Number:
824951-99-7
Molecular Formula:
C31H44N8O6
Molecular Weight:
624.7311
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C31H44N8O6/c1-19(2)26(39-25(40)18-32)29(43)36-22(14-9-15-35-31(33)34)27(41)37-23(16-20-10-5-3-6-11-20)28(42)38-24(30(44)45)17-21-12-7-4-8-13-21/h3-8,10-13,19,22-24,26H,9,14-18,32H2,1-2H3,(H,36,43)(H,37,41)(H,38,42)(H,39,40)(H,44,45)(H4,33,34,35)/t22-,23-,24-,26-/m0/s1
InChI Key:
QWZDMMJQIAUPKJ-IGRGDXOOSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1)CCCNC(=N)N)C(C)C
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
624.338g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
624.743g/mol
Monoisotopic Mass:
624.338g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
244A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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