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102430-57-9 | L-Threonine, L-arginyl-4-amino-L-phenylalanyl-L-leucyl-L-prolyl- (9CI)
CAS No: 102430-57-9 Catalog No: AG0007FW MDL No:
Product Description
Catalog Number:
AG0007FW
Chemical Name:
L-Threonine, L-arginyl-4-amino-L-phenylalanyl-L-leucyl-L-prolyl- (9CI)
CAS Number:
102430-57-9
Molecular Formula:
C30H49N9O7
Molecular Weight:
647.7662
IUPAC Name:
(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-aminophenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C30H49N9O7/c1-16(2)14-22(28(44)39-13-5-7-23(39)27(43)38-24(17(3)40)29(45)46)37-26(42)21(15-18-8-10-19(31)11-9-18)36-25(41)20(32)6-4-12-35-30(33)34/h8-11,16-17,20-24,40H,4-7,12-15,31-32H2,1-3H3,(H,36,41)(H,37,42)(H,38,43)(H,45,46)(H4,33,34,35)/t17-,20+,21+,22+,23+,24+/m1/s1
InChI Key:
MMMMZJALXRWQKJ-UEHMALFGSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)Cc1ccc(cc1)N)C
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
647.375g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
647.778g/mol
Monoisotopic Mass:
647.375g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
282A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.8
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