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88219-20-9 | L-Prolinamide, L-tyrosyl-D-methionylglycyl-L-tryptophyl-
CAS No: 88219-20-9 Catalog No: AG004DFE MDL No:
Product Description
Catalog Number:
AG004DFE
Chemical Name:
L-Prolinamide, L-tyrosyl-D-methionylglycyl-L-tryptophyl-
CAS Number:
88219-20-9
Molecular Formula:
C32H41N7O6S
Molecular Weight:
651.7762
IUPAC Name:
(2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C32H41N7O6S/c1-46-14-12-25(38-30(43)23(33)15-19-8-10-21(40)11-9-19)31(44)36-18-28(41)37-26(32(45)39-13-4-7-27(39)29(34)42)16-20-17-35-24-6-3-2-5-22(20)24/h2-3,5-6,8-11,17,23,25-27,35,40H,4,7,12-16,18,33H2,1H3,(H2,34,42)(H,36,44)(H,37,41)(H,38,43)/t23-,25+,26-,27-/m0/s1
InChI Key:
BBRGHWNOBLLINX-KMQNXVAFSA-N
SMILES:
CSCC[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccc(cc1)O)N
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
651.284g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
651.783g/mol
Monoisotopic Mass:
651.284g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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