Thiostrepton

CAS Registry Number®

1393-48-2

CAS Name

Thiostrepton

Molecular Formula

C72H85N19O18S5

Molecular Mass

1664.89

Cite this Page

Thiostrepton.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1393-48-2 (retrieved 2024-11-24) (CAS RN: 1393-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    223-235 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15-/t26-,30-,31-,32-,33+,34+,35+,39+,45+,47-,48-,49-,51-,52+,53+,71+,72+/m0/s1

InChIKey

InChIKey=NSFFHOGKXHRQEW-AIHSUZKVSA-N

SMILES

O=C1N[C@]23[C@@](C=4N=C(SC4)[C@@](NC(=O)C=5N=C(SC5)[C@]([C@]([C@@H](C)O)(C)O)(NC(=O)[C@@]6(N=C(\C(=C\C)\NC(=O)[C@]([C@@H](C)O)(NC(=O)C=7N=C2SC7)[H])SC6)[H])[H])([C@@H](C)OC(=O)C=8N=C9C(=C([C@H](C)O)C8)C=C[C@]([C@@H]9O)(N[C@@]([C@H](CC)C)(C(=O)N[C@@H](C)C(=O)NC(=C)C(=O)N[C@H]1C)[H])[H])[H])(N=C(CC3)C%10=NC(C(NC(C(NC(C(N)=O)=C)=O)=C)=O)=CS%10)[H]

Canonical SMILES

O=C1OC(C)C2NC(=O)C=3N=C(SC3)C(NC(=O)C4N=C(SC4)C(=CC)NC(=O)C(NC(=O)C=5N=C(SC5)C6(NC(=O)C(NC(=O)C(=C)NC(=O)C(NC(=O)C(NC7C=CC=8C(=NC1=CC8C(O)C)C7O)C(C)CC)C)C)CCC(=NC6C=9N=C2SC9)C%10=NC(=CS%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C(O)C)C(O)(C)C(O)C

Other Names for this Substance

  • Alaninamide, N-[(7R,8S)-2-carboxy-7,8-dihydro-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7-quinolinyl]-L-isoleucyl-L-alanyl-2,3-didehydroalanyl-L-alanyl-2-[(4aR,11S,14Z,18S,21S,28S,32aS)-4a-amino-21-[(1S,2R)-1,2-dihydroxy-1-methylpropyl]-14-ethylidene-3,4,4a,9,10,11,12,13,14,18,19,20,21,27,28,32a-hexadecahydro-11,28-bis[(1R)-1-hydroxyethyl]-9,12,19,26-tetraoxo-17H,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]-4-thiazolecarbonyl-2,3-didehydroalanyl-2,3-didehydro-, (1→528)-lactone
  • Thiostrepton
  • Alaninamide, L-threonyl-(4S)-2-[(1Z)-1-amino-1-propenyl]-4,5-dihydro-4-thiazolecarbonyl-2-[(1S,2S,3R)-1-amino-2,3-dihydroxy-2-methylbutyl]-4-thiazolecarbonyl-2-[(5R,6S)-6-[2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-thiazolyl]-5-[[N-[(7R,8S)-2-carboxy-7,8-dihydro-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7-quinolinyl]-L-isoleucyl-L-alanyl-2,3-didehydroalanyl-L-alanyl]amino]-5-(4-carboxy-2-thiazolyl)-3,4,5,6-tetrahydro-2-pyridinyl]-4-thiazolecarbonyl-2,3-didehydroalanyl-2,3-didehydro-, (1′→4)-lactone, (4→1)-lactam
  • Bryamycin
  • Thiactin

View All

Deleted or Replaced CAS Registry Numbers

1403-14-1, 1404-84-8

CAS INSIGHTSTM
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