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89671-33-0 | L-Methioninamide, L-glutaminyl-L-phenylalanyl-L-valylglycyl-L-leucyl-
CAS No: 89671-33-0 Catalog No: AG0044JZ MDL No:
Product Description
Catalog Number:
AG0044JZ
Chemical Name:
L-Methioninamide, L-glutaminyl-L-phenylalanyl-L-valylglycyl-L-leucyl-
CAS Number:
89671-33-0
Molecular Formula:
C32H52N8O7S
Molecular Weight:
692.8697
IUPAC Name:
2-amino-N-[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide
InChI:
InChI=1S/C32H52N8O7S/c1-18(2)15-23(30(45)38-22(28(35)43)13-14-48-5)37-26(42)17-36-32(47)27(19(3)4)40-31(46)24(16-20-9-7-6-8-10-20)39-29(44)21(33)11-12-25(34)41/h6-10,18-19,21-24,27H,11-17,33H2,1-5H3,(H2,34,41)(H2,35,43)(H,36,47)(H,37,42)(H,38,45)(H,39,44)(H,40,46)
InChI Key:
XPSZSOWJXLBYCX-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)Cc1ccccc1)CC(C)C
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
692.368g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
692.877g/mol
Monoisotopic Mass:
692.368g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
283A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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