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76995-90-9 | L-Leucine, N-[4-amino-N-[N-(N-L-tyrosylglycyl)glycyl]-L-phenylalanyl]-
CAS No: 76995-90-9 Catalog No: AG005783 MDL No:
Product Description
Catalog Number:
AG005783
Chemical Name:
L-Leucine, N-[4-amino-N-[N-(N-L-tyrosylglycyl)glycyl]-L-phenylalanyl]-
CAS Number:
76995-90-9
Molecular Formula:
C28H38N6O7
Molecular Weight:
570.6373
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-aminophenyl)propanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C28H38N6O7/c1-16(2)11-23(28(40)41)34-27(39)22(13-18-3-7-19(29)8-4-18)33-25(37)15-31-24(36)14-32-26(38)21(30)12-17-5-9-20(35)10-6-17/h3-10,16,21-23,35H,11-15,29-30H2,1-2H3,(H,31,36)(H,32,38)(H,33,37)(H,34,39)(H,40,41)/t21-,22-,23-/m0/s1
InChI Key:
PPTVZKYKOHTLHX-VABKMULXSA-N
SMILES:
O=C(CNC(=O)[C@H](Cc1ccc(cc1)O)N)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)N
Properties
Complexity:
885
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
570.28g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
570.647g/mol
Monoisotopic Mass:
570.28g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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