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832731-11-0 | L-Phenylalanine, glycyl-L-histidyl-L-arginyl-
CAS No: 832731-11-0 Catalog No: AG0056HO MDL No:
Product Description
Catalog Number:
AG0056HO
Chemical Name:
L-Phenylalanine, glycyl-L-histidyl-L-arginyl-
CAS Number:
832731-11-0
Molecular Formula:
C23H33N9O5
Molecular Weight:
515.5654
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C23H33N9O5/c24-11-19(33)30-17(10-15-12-27-13-29-15)21(35)31-16(7-4-8-28-23(25)26)20(34)32-18(22(36)37)9-14-5-2-1-3-6-14/h1-3,5-6,12-13,16-18H,4,7-11,24H2,(H,27,29)(H,30,33)(H,31,35)(H,32,34)(H,36,37)(H4,25,26,28)/t16-,17-,18-/m0/s1
InChI Key:
XVDPHYMCYJRVSY-BZSNNMDCSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCCNC(=N)N)Cc1c[nH]cn1
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
515.26g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
515.575g/mol
Monoisotopic Mass:
515.26g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
244A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4
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