Carbamic acid, [5-[[2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropyl]amino]-6-oxo-6-[4-(4-pyridinyl)-1-piperazinyl]hexyl]-, 1,1-dimethylethyl ester, [S-(R*,S*)]-

CAS Registry Number®

204693-44-7
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CAS Name

Carbamic acid, [5-[[2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropyl]amino]-6-oxo-6-[4-(4-pyridinyl)-1-piperazinyl]hexyl]-, 1,1-dimethylethyl ester, [S-(R*,S*)]-

Molecular Formula

C29H40Br2N6O5

Molecular Mass

712.47

Cite this Page

Carbamic acid, [5-[[2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropyl]amino]-6-oxo-6-[4-(4-pyridinyl)-1-piperazinyl]hexyl]-, 1,1-dimethylethyl ester, [S-(R*,S*)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=204693-44-7 (retrieved 2024-08-13) (CAS RN: 204693-44-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H40Br2N6O5/c1-29(2,3)42-28(41)34-9-5-4-6-24(27(40)37-14-12-36(13-15-37)20-7-10-33-11-8-20)35-26(39)23(32)18-19-16-21(30)25(38)22(31)17-19/h7-8,10-11,16-17,23-24,38H,4-6,9,12-15,18,32H2,1-3H3,(H,34,41)(H,35,39)/t23-,24+/m1/s1

InChIKey

InChIKey=BIIQEMGIHKZLOH-RPWUZVMVSA-N

SMILES

C([C@@H](NC([C@@H](CC1=CC(Br)=C(O)C(Br)=C1)N)=O)CCCCNC(OC(C)(C)C)=O)(=O)N2CCN(CC2)C=3C=CN=CC3

Canonical SMILES

O=C(OC(C)(C)C)NCCCCC(NC(=O)C(N)CC1=CC(Br)=C(O)C(Br)=C1)C(=O)N2CCN(C=3C=CN=CC3)CC2

Other Names for this Substance

  • Carbamic acid, [5-[[2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropyl]amino]-6-oxo-6-[4-(4-pyridinyl)-1-piperazinyl]hexyl]-, 1,1-dimethylethyl ester, [S-(R*,S*)]-

Deleted or Replaced CAS Registry Numbers

864738-82-9