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72273-84-8 | L-Alanine, L-arginyl-L-tyrosyl-L-leucyl-L-prolyl-
CAS No: 72273-84-8 Catalog No: AG005IG4 MDL No:
Product Description
Catalog Number:
AG005IG4
Chemical Name:
L-Alanine, L-arginyl-L-tyrosyl-L-leucyl-L-prolyl-
CAS Number:
72273-84-8
Molecular Formula:
C29H46N8O7
Molecular Weight:
618.7249
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C29H46N8O7/c1-16(2)14-22(27(42)37-13-5-7-23(37)26(41)34-17(3)28(43)44)36-25(40)21(15-18-8-10-19(38)11-9-18)35-24(39)20(30)6-4-12-33-29(31)32/h8-11,16-17,20-23,38H,4-7,12-15,30H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)(H,43,44)(H4,31,32,33)/t17-,20-,21-,22-,23-/m0/s1
InChI Key:
RJYCEAAVODPIBW-RSYUGDCRSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)Cc1ccc(cc1)O)C
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
618.349g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
618.736g/mol
Monoisotopic Mass:
618.349g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
256A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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