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141136-83-6 | L-Seryl-L-phenylalanyl-L-leucyl-L-leucyl-L-arginyl-L-asparagine
CAS No: 141136-83-6 Catalog No: AG003AP5 MDL No:
Product Description
Catalog Number:
AG003AP5
Chemical Name:
L-Seryl-L-phenylalanyl-L-leucyl-L-leucyl-L-arginyl-L-asparagine
CAS Number:
141136-83-6
Molecular Formula:
C34H56N10O9
Molecular Weight:
748.8700
IUPAC Name:
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C34H56N10O9/c1-18(2)13-23(30(49)40-22(11-8-12-39-34(37)38)29(48)44-26(33(52)53)16-27(36)46)42-31(50)24(14-19(3)4)43-32(51)25(41-28(47)21(35)17-45)15-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-26,45H,8,11-17,35H2,1-4H3,(H2,36,46)(H,40,49)(H,41,47)(H,42,50)(H,43,51)(H,44,48)(H,52,53)(H4,37,38,39)/t21-,22-,23-,24-,25-,26-/m0/s1
InChI Key:
HAGOWCONESKMDW-FRSCJGFNSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CCCNC(=N)N)CC(C)C)CC(C)C)Cc1ccccc1)N
Properties
Complexity:
1270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
748.423g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
11
Isotope Atom Count:
0
Molecular Weight:
748.883g/mol
Monoisotopic Mass:
748.423g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
337A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
Literature
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