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89137-30-4 | L-Methioninamide, O-(phenylmethyl)-D-tyrosyl-L-phenylalanyl-
CAS No: 89137-30-4 Catalog No: AG003WXK MDL No:
Product Description
Catalog Number:
AG003WXK
Chemical Name:
L-Methioninamide, O-(phenylmethyl)-D-tyrosyl-L-phenylalanyl-
CAS Number:
89137-30-4
Molecular Formula:
C30H36N4O4S
Molecular Weight:
548.6962
IUPAC Name:
2-[[2-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanamide
InChI:
InChI=1S/C30H36N4O4S/c1-39-17-16-26(28(32)35)33-30(37)27(19-21-8-4-2-5-9-21)34-29(36)25(31)18-22-12-14-24(15-13-22)38-20-23-10-6-3-7-11-23/h2-15,25-27H,16-20,31H2,1H3,(H2,32,35)(H,33,37)(H,34,36)
InChI Key:
IRMNZWBCMXEAAS-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(cc1)OCc1ccccc1)N
Properties
Complexity:
749
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.246g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
548.702g/mol
Monoisotopic Mass:
548.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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