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836649-00-4 | L-Alanine, N-(dipropoxyphosphinyl)-L-alanyl-L-alanyl-L-alanyl-
CAS No: 836649-00-4 Catalog No: AG0056GU MDL No:
Product Description
Catalog Number:
AG0056GU
Chemical Name:
L-Alanine, N-(dipropoxyphosphinyl)-L-alanyl-L-alanyl-L-alanyl-
CAS Number:
836649-00-4
Molecular Formula:
C18H35N4O8P
Molecular Weight:
466.4663
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(dipropoxyphosphorylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
InChI:
InChI=1S/C18H35N4O8P/c1-7-9-29-31(28,30-10-8-2)22-13(5)17(25)20-11(3)15(23)19-12(4)16(24)21-14(6)18(26)27/h11-14H,7-10H2,1-6H3,(H,19,23)(H,20,25)(H,21,24)(H,22,28)(H,26,27)/t11-,12-,13-,14-/m0/s1
InChI Key:
ZBSZXMQYMFQHAJ-XUXIUFHCSA-N
SMILES:
CCCOP(=O)(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)C)C)OCCC
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
466.219g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
466.472g/mol
Monoisotopic Mass:
466.219g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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