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198995-08-3 | L-Tryptophanamide, L-lysyl-L-prolyl-L-prolylglycyl-L-leucyl- (9CI)
CAS No: 198995-08-3 Catalog No: AG002BUH MDL No:
Product Description
Catalog Number:
AG002BUH
Chemical Name:
L-Tryptophanamide, L-lysyl-L-prolyl-L-prolylglycyl-L-leucyl- (9CI)
CAS Number:
198995-08-3
Molecular Formula:
C35H53N9O6
Molecular Weight:
695.8520
IUPAC Name:
(2S)-N-[2-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-1-[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C35H53N9O6/c1-21(2)17-27(32(47)42-26(31(38)46)18-22-19-39-25-11-4-3-9-23(22)25)41-30(45)20-40-33(48)28-12-7-15-43(28)35(50)29-13-8-16-44(29)34(49)24(37)10-5-6-14-36/h3-4,9,11,19,21,24,26-29,39H,5-8,10,12-18,20,36-37H2,1-2H3,(H2,38,46)(H,40,48)(H,41,45)(H,42,47)/t24-,26-,27-,28-,29-/m0/s1
InChI Key:
GFYLAMJUEUPBFG-CISYKLKFSA-N
SMILES:
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)CC(C)C)N
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
695.412g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
695.866g/mol
Monoisotopic Mass:
695.412g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
239A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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