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102185-55-7 | L-Arginine, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-L-leucylglycyl- (9CI)
CAS No: 102185-55-7 Catalog No: AG0006TY MDL No:
Product Description
Catalog Number:
AG0006TY
Chemical Name:
L-Arginine, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-L-leucylglycyl- (9CI)
CAS Number:
102185-55-7
Molecular Formula:
C24H45N7O7
Molecular Weight:
543.6568
IUPAC Name:
(2S)-5-(diaminomethylideneamino)-2-[[2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]acetyl]amino]pentanoic acid
InChI:
InChI=1S/C24H45N7O7/c1-13(2)11-16(30-20(34)18(14(3)4)31-23(37)38-24(5,6)7)19(33)28-12-17(32)29-15(21(35)36)9-8-10-27-22(25)26/h13-16,18H,8-12H2,1-7H3,(H,28,33)(H,29,32)(H,30,34)(H,31,37)(H,35,36)(H4,25,26,27)/t15-,16-,18-/m0/s1
InChI Key:
DGHVKPVEBMXHCK-BQFCYCMXSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)C
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
543.338g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
543.666g/mol
Monoisotopic Mass:
543.338g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
227A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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