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84675-70-7 | L-Phenylalaninamide, L-arginyl-L-tyrosyl-D-alanylglycyl-
CAS No: 84675-70-7 Catalog No: AG004ZSX MDL No:
Product Description
Catalog Number:
AG004ZSX
Chemical Name:
L-Phenylalaninamide, L-arginyl-L-tyrosyl-D-alanylglycyl-
CAS Number:
84675-70-7
Molecular Formula:
C29H41N9O6
Molecular Weight:
611.6925
IUPAC Name:
(2S)-2-amino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
InChI:
InChI=1S/C29H41N9O6/c1-17(26(42)35-16-24(40)37-22(25(31)41)14-18-6-3-2-4-7-18)36-28(44)23(15-19-9-11-20(39)12-10-19)38-27(43)21(30)8-5-13-34-29(32)33/h2-4,6-7,9-12,17,21-23,39H,5,8,13-16,30H2,1H3,(H2,31,41)(H,35,42)(H,36,44)(H,37,40)(H,38,43)(H4,32,33,34)/t17-,21+,22+,23+/m1/s1
InChI Key:
RBWFRNDOMJGBCZ-SZOBAZRNSA-N
SMILES:
O=C(N[C@H](C(=O)N)Cc1ccccc1)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)Cc1ccc(cc1)O)C
Properties
Complexity:
992
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
611.318g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
611.704g/mol
Monoisotopic Mass:
611.318g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
270A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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