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123496-54-8 | L-Lysinamide, L-tyrosyl-L-alanyl-N-[4-[(aminoiminomethyl)amino]-1-(chloroacetyl)butyl]- (9CI)
CAS No: 123496-54-8 Catalog No: AG000KOI MDL No:
Product Description
Catalog Number:
AG000KOI
Chemical Name:
L-Lysinamide, L-tyrosyl-L-alanyl-N-[4-[(aminoiminomethyl)amino]-1-(chloroacetyl)butyl]- (9CI)
CAS Number:
123496-54-8
Molecular Formula:
C25H41ClN8O5
Molecular Weight:
569.0966
IUPAC Name:
acetyl chloride;(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C24H40N8O6.C2H3ClO/c1-14(30-21(35)17(26)13-15-7-9-16(33)10-8-15)20(34)31-18(5-2-3-11-25)22(36)32-19(23(37)38)6-4-12-29-24(27)28;1-2(3)4/h7-10,14,17-19,33H,2-6,11-13,25-26H2,1H3,(H,30,35)(H,31,34)(H,32,36)(H,37,38)(H4,27,28,29);1H3/t14-,17-,18-,19-;/m0./s1
InChI Key:
ZMANKTVOTUQJCG-ADVXKWHUSA-N
SMILES:
NCCCC[C@@H](C(=O)NC(C(=O)CCl)CCCNC=NN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C
Properties
Complexity:
832
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
614.294g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
615.129g/mol
Monoisotopic Mass:
614.294g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
278A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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