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141106-72-1 | Glycinamide, L-seryl-L-prolyl-L-lysyl-L-lysyl-N-[4-(9-acridinylamino)phenyl]- (9CI)
CAS No: 141106-72-1 Catalog No: AG001FXE MDL No:
Product Description
Catalog Number:
AG001FXE
Chemical Name:
Glycinamide, L-seryl-L-prolyl-L-lysyl-L-lysyl-N-[4-(9-acridinylamino)phenyl]- (9CI)
CAS Number:
141106-72-1
Molecular Formula:
C41H54N10O6
Molecular Weight:
782.9309
IUPAC Name:
(2S)-N-[(2S)-1-[[(2S)-1-[[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]amino]-6-amino-1-oxohexan-2-yl]amino]-6-amino-1-oxohexan-2-yl]-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C41H54N10O6/c42-21-7-5-14-33(49-39(55)34(15-6-8-22-43)50-40(56)35-16-9-23-51(35)41(57)30(44)25-52)38(54)45-24-36(53)46-26-17-19-27(20-18-26)47-37-28-10-1-3-12-31(28)48-32-13-4-2-11-29(32)37/h1-4,10-13,17-20,30,33-35,52H,5-9,14-16,21-25,42-44H2,(H,45,54)(H,46,53)(H,47,48)(H,49,55)(H,50,56)/t30-,33-,34-,35-/m0/s1
InChI Key:
BGMKAIOOSSSPIY-RONNFESSSA-N
SMILES:
NCCCC[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)N)CCCCN
Properties
Complexity:
1290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
782.423g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
782.947g/mol
Monoisotopic Mass:
782.423g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
260A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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