Home Carbonyls 2-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acid

2-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acid

CAS No.:
1610413-97-2
Catalog Number:
AG001VLK
Molecular Formula:
C34H54N4O10
Molecular Weight:
678.8134
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$357
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Product Description
Catalog Number:
AG001VLK
Chemical Name:
2-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acid
CAS Number:
1610413-97-2
Molecular Formula:
C34H54N4O10
Molecular Weight:
678.8134
MDL Number:
MFCD28987368
IUPAC Name:
2-[4-[[[(5S)-5-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]carbamoylamino]methyl]phenyl]acetic acid
InChI:
InChI=1S/C34H54N4O10/c1-32(2,3)46-27(41)18-17-25(29(43)48-34(7,8)9)38-31(45)37-24(28(42)47-33(4,5)6)12-10-11-19-35-30(44)36-21-23-15-13-22(14-16-23)20-26(39)40/h13-16,24-25H,10-12,17-21H2,1-9H3,(H,39,40)(H2,35,36,44)(H2,37,38,45)/t24-,25-/m0/s1
InChI Key:
IMNLHBFYVLUOKM-DQEYMECFSA-N
SMILES:
O=C(NCc1ccc(cc1)CC(=O)O)NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@H](C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
Properties
Complexity:
1080  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
678.384g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
678.824g/mol
Monoisotopic Mass:
678.384g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties