Hymenocardine

CAS Registry Number®

19771-56-3

CAS Name

Hymenocardine

Molecular Formula

C37H50N6O6

Molecular Mass

674.83

Cite this Page

Hymenocardine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19771-56-3 (retrieved 2024-11-13) (CAS RN: 19771-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    261 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H50N6O6/c1-9-22(4)31(43(7)8)35(47)41-30(21(2)3)34(46)42-32-36(48)40-28(18-24-19-38-27-13-11-10-12-26(24)27)33(45)39-20-29(44)23-14-16-25(17-15-23)49-37(32,5)6/h10-17,19,21-22,28,30-32,38H,9,18,20H2,1-8H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46)/t22-,28-,30-,31-,32+/m0/s1

InChIKey

InChIKey=ATQXXRJEZULCTG-DLCFQVRISA-N

SMILES

C(C=1C=2C(NC1)=CC=CC2)[C@@H]3NC(=O)[C@@H](NC([C@@H](NC([C@H]([C@H](CC)C)N(C)C)=O)[C@@H](C)C)=O)C(C)(C)OC4=CC=C(C(=O)CNC3=O)C=C4

Canonical SMILES

O=C1NCC(=O)C2=CC=C(OC(C)(C)C(NC(=O)C(NC(=O)C(N(C)C)C(C)CC)C(C)C)C(=O)NC1CC3=CNC=4C=CC=CC43)C=C2

Other Names for this Substance

  • L-Valinamide, N,N-dimethyl-L-isoleucyl-N-[(4S,7S)-7-(1H-indol-3-ylmethyl)-3,3-dimethyl-5,8,11-trioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-
  • Hymenocardine
  • L-Valinamide, N,N-dimethyl-L-isoleucyl-N-[7-(1H-indol-3-ylmethyl)-3,3-dimethyl-5,8,11-trioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-, [4S-(4R*,7R*)]-
  • 2-Oxa-6,9-diazabicyclo[10.2.2]hexadecane, L-valinamide deriv.

CAS INSIGHTSTM
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