Home Carboxys (9S,13S)-Tri-Tert-Butyl 3,11-Dioxo-1-Phenyl-2-Oxa-4,10,12-Triazapentadecane-9,13,15-Tricarboxylate

(9S,13S)-Tri-Tert-Butyl 3,11-Dioxo-1-Phenyl-2-Oxa-4,10,12-Triazapentadecane-9,13,15-Tricarboxylate

CAS No.:
1025796-30-8
Catalog Number:
AG00H9TH
Molecular Formula:
C32H51N3O9
Molecular Weight:
621.7620
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Product Description
Catalog Number:
AG00H9TH
Chemical Name:
(9S,13S)-Tri-Tert-Butyl 3,11-Dioxo-1-Phenyl-2-Oxa-4,10,12-Triazapentadecane-9,13,15-Tricarboxylate
CAS Number:
1025796-30-8
Molecular Formula:
C32H51N3O9
Molecular Weight:
621.7620
MDL Number:
MFCD28992023
IUPAC Name:
ditert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoylamino]pentanedioate
InChI:
InChI=1S/C32H51N3O9/c1-30(2,3)42-25(36)19-18-24(27(38)44-32(7,8)9)35-28(39)34-23(26(37)43-31(4,5)6)17-13-14-20-33-29(40)41-21-22-15-11-10-12-16-22/h10-12,15-16,23-24H,13-14,17-21H2,1-9H3,(H,33,40)(H2,34,35,39)/t23-,24-/m0/s1
InChI Key:
SOIPTPWFOKETMG-ZEQRLZLVSA-N
SMILES:
O=C(N[C@H](C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)N[C@H](C(=O)OC(C)(C)C)CCCCNC(=O)OCc1ccccc1
Properties
Complexity:
942  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
621.363g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
621.772g/mol
Monoisotopic Mass:
621.363g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties