Micrococcin P1

CAS Registry Number®

67401-56-3
No image available.

CAS Name

Micrococcin P1

Molecular Formula

C48H49N13O9S6

Molecular Mass

1144.37

Cite this Page

Micrococcin P1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67401-56-3 (retrieved 2024-05-18) (CAS RN: 67401-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H49N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-22,33-35,62-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b24-8-,25-9-/t20-,21-,22-,33+,34+,35+/m1/s1

InChIKey

InChIKey=MQGFYNRGFWXAKA-QMXXNAFJSA-N

SMILES

[C@H](C)(O)[C@]1(C2=NC(C=3C(C4=NC(=CS4)C(=O)N[C@@]([C@@H](C)O)(C(=O)N/C(=C\C)/C5=NC(C(=O)N[C@@H](C(C)C)C6=NC(C(=O)N1)=CS6)=CS5)[H])=CC=C(N3)C7=NC(=CS7)C8=NC(C(N/C(/C(NC[C@@H](C)O)=O)=C\C)=O)=CS8)=CS2)[H]

Canonical SMILES

O=C(NC(=CC)C(=O)NCC(O)C)C=1N=C(SC1)C=2N=C(SC2)C3=NC=4C=5N=C(SC5)C(NC(=O)C=6N=C(SC6)C(NC(=O)C=7N=C(SC7)C(=CC)NC(=O)C(NC(=O)C=8N=C(SC8)C4C=C3)C(O)C)C(C)C)C(O)C

Other Names for this Substance

  • [2,4′-Bithiazole]-4-carboxamide, 2′-[(11S,14Z,21S,28S)-14-ethylidene-9,10,11,12,13,14,20,21,27,28-decahydro-28-[(1R)-1-hydroxyethyl]-11-[(1R)-1-hydroxyethyl]-21-(1-methylethyl)-9,12,19,26-tetraoxo-19H,26H-8,5:18,15:25,22:32,29-tetranitrilo-5H,15H-pyrido[3,2-m][1,11,17,24,4,7,20,27]tetrathiatetraazacyclotriacontin-2-yl]-N-[(1Z)-1-[[[(2R)-2-hydroxypropyl]amino]carbonyl]-1-propen-1-yl]-
  • Micrococcin P1
  • [2,4′-Bithiazole]-4-carboxamide, 2′-[(11S,14Z,21S,28S)-14-ethylidene-9,10,11,12,13,14,20,21,27,28-decahydro-28-[(1R)-1-hydroxyethyl]-11-[(1R)-1-hydroxyethyl]-21-(1-methylethyl)-9,12,19,26-tetraoxo-19H,26H-8,5:18,15:25,22:32,29-tetranitrilo-5H,15H-pyrido[3,2-m][1,11,17,24,4,7,20,27]tetrathiatetraazacyclotriacontin-2-yl]-N-[(1Z)-1-[[[(2R)-2-hydroxypropyl]amino]carbonyl]-1-propenyl]-
  • 2′-[(11S,14Z,21S,28S)-14-Ethylidene-9,10,11,12,13,14,20,21,27,28-decahydro-28-[(1R)-1-hydroxyethyl]-11-[(1R)-1-hydroxyethyl]-21-(1-methylethyl)-9,12,19,26-tetraoxo-19H,26H-8,5:18,15:25,22:32,29-tetranitrilo-5H,15H-pyrido[3,2-m][1,11,17,24,4,7,20,27]tetrathiatetraazacyclotriacontin-2-yl]-N-[(1Z)-1-[[[(2R)-2-hydroxypropyl]amino]carbonyl]-1-propen-1-yl][2,4′-bithiazole]-4-carboxamide

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