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157262-79-8 | L-Aspartic acid, L-tyrosyl-L-isoleucylglycyl-L-seryl-
CAS No: 157262-79-8 Catalog No: AG001PC7 MDL No:
Product Description
Catalog Number:
AG001PC7
Chemical Name:
L-Aspartic acid, L-tyrosyl-L-isoleucylglycyl-L-seryl-
CAS Number:
157262-79-8
Molecular Formula:
C24H35N5O10
Molecular Weight:
553.5622
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid
InChI:
InChI=1S/C24H35N5O10/c1-3-12(2)20(29-21(35)15(25)8-13-4-6-14(31)7-5-13)23(37)26-10-18(32)27-17(11-30)22(36)28-16(24(38)39)9-19(33)34/h4-7,12,15-17,20,30-31H,3,8-11,25H2,1-2H3,(H,26,37)(H,27,32)(H,28,36)(H,29,35)(H,33,34)(H,38,39)/t12-,15-,16-,17-,20-/m0/s1
InChI Key:
YEWOAHFBIVHKPO-DTDKCHBMSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CO)NC(=O)[C@H](Cc1ccc(cc1)O)N)C
Properties
Complexity:
877
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
553.238g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
553.569g/mol
Monoisotopic Mass:
553.238g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
258A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5
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