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798541-94-3 | L-Alanine, L-valyl-L-alanyl-L-methionyl-
CAS No: 798541-94-3 Catalog No: AG0055B5 MDL No:
Product Description
Catalog Number:
AG0055B5
Chemical Name:
L-Alanine, L-valyl-L-alanyl-L-methionyl-
CAS Number:
798541-94-3
Molecular Formula:
C16H30N4O5S
Molecular Weight:
390.4982
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoic acid
InChI:
InChI=1S/C16H30N4O5S/c1-8(2)12(17)15(23)18-9(3)13(21)20-11(6-7-26-5)14(22)19-10(4)16(24)25/h8-12H,6-7,17H2,1-5H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,11-,12-/m0/s1
InChI Key:
IPSLOFCNDFUGQC-BJDJZHNGSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)C
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
390.194g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
390.499g/mol
Monoisotopic Mass:
390.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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