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144548-33-4 | L-Phenylalanine, N-[N-(N2-L-phenylalanyl-L-arginyl)-L-valyl]- (9CI)
CAS No: 144548-33-4 Catalog No: AG001JQT MDL No:
Product Description
Catalog Number:
AG001JQT
Chemical Name:
L-Phenylalanine, N-[N-(N2-L-phenylalanyl-L-arginyl)-L-valyl]- (9CI)
CAS Number:
144548-33-4
Molecular Formula:
C29H41N7O5
Molecular Weight:
567.6797
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C29H41N7O5/c1-18(2)24(27(39)35-23(28(40)41)17-20-12-7-4-8-13-20)36-26(38)22(14-9-15-33-29(31)32)34-25(37)21(30)16-19-10-5-3-6-11-19/h3-8,10-13,18,21-24H,9,14-17,30H2,1-2H3,(H,34,37)(H,35,39)(H,36,38)(H,40,41)(H4,31,32,33)/t21-,22-,23-,24-/m0/s1
InChI Key:
LIWOHUSRWUWRSX-ZJZGAYNASA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C(C)C)NC(=O)[C@H](Cc1ccccc1)N
Properties
Complexity:
881
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
567.317g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
567.691g/mol
Monoisotopic Mass:
567.317g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
215A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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