N-[[(6S,7R,9R,14aS,15R)-7-Cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-2-oxopropanamide

CAS Registry Number®

66082-27-7

CAS Name

N-[[(6S,7R,9R,14aS,15R)-7-Cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-2-oxopropanamide

Molecular Formula

C29H30N4O8

Molecular Mass

562.57

Cite this Page

N-[[(6S,7R,9R,14aS,15R)-7-Cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-2-oxopropanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66082-27-7 (retrieved 2024-11-25) (CAS RN: 66082-27-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120-122 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)/t16-,17-,18-,19-,22-/m0/s1

InChIKey

InChIKey=JNEGMBHBUAJRSX-SHUHUVMISA-N

SMILES

C(NC(C(C)=O)=O)[C@@H]1N2[C@]([C@]3(C4=C(C[C@@]([C@@H]2C#N)(N3C)[H])C(=O)C(C)=C(OC)C4=O)[H])(CC5=C1C(=O)C(OC)=C(C)C5=O)[H]

Canonical SMILES

N#CC1N2C(C=3C(=O)C(OC)=C(C(=O)C3CC2C4C=5C(=O)C(OC)=C(C(=O)C5CC1N4C)C)C)CNC(=O)C(=O)C

Other Names for this Substance

  • Propanamide, N-[[(6S,7R,9R,14aS,15R)-7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-2-oxo-
  • Propanamide, N-[(7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl)methyl]-2-oxo-, [6S-(6α,7α,9β,14aα,15α)]-
  • 6,15-Imino-4H-isoquino[3,2-b][3]benzazocine, propanamide deriv.
  • N-[[(6S,7R,9R,14aS,15R)-7-Cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-2-oxopropanamide
  • Saframycin A

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