(3aS,7R,7aS)-2-[[2-[[(3S)-3-Amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-4-O-(aminocarbonyl)-2-deoxy-β-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-4H-imidazo[4,5-c]pyridin-4-one

CAS Registry Number®

3776-36-1

CAS Name

(3aS,7R,7aS)-2-[[2-[[(3S)-3-Amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-4-O-(aminocarbonyl)-2-deoxy-β-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-4H-imidazo[4,5-c]pyridin-4-one

Molecular Formula

C37H70N14O11

Molecular Mass

887.04

Cite this Page

(3aS,7R,7aS)-2-[[2-[[(3S)-3-Amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-4-O-(aminocarbonyl)-2-deoxy-β-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-4H-imidazo[4,5-c]pyridin-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3776-36-1 (retrieved 2025-02-06) (CAS RN: 3776-36-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H70N14O11/c38-9-1-5-19(39)13-25(54)44-10-2-6-20(40)14-26(55)45-11-3-7-21(41)15-27(56)46-12-4-8-22(42)16-28(57)48-31-32(58)33(62-36(43)60)24(18-52)61-35(31)51-37-49-29-23(53)17-47-34(59)30(29)50-37/h19-24,29-33,35,52-53,58H,1-18,38-42H2,(H2,43,60)(H,44,54)(H,45,55)(H,46,56)(H,47,59)(H,48,57)(H2,49,50,51)/t19-,20-,21-,22-,23+,24+,29+,30-,31+,32-,33-,35+/m0/s1

InChIKey

InChIKey=UZMKRCMBWWXPBP-CSVBCEEXSA-N

SMILES

N([C@H]1[C@H](NC(C[C@H](CCCNC(C[C@H](CCCNC(C[C@H](CCCNC(C[C@H](CCCN)N)=O)N)=O)N)=O)N)=O)[C@H](O)[C@@H](OC(N)=O)[C@@H](CO)O1)C=2N[C@]3([C@](N2)(C(=O)NC[C@H]3O)[H])[H]

Canonical SMILES

O=C(OC1C(O)C(NC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)C(OC1CO)NC2=NC3C(=O)NCC(O)C3N2)N

Other Names for this Substance

  • 4H-Imidazo[4,5-c]pyridin-4-one, 2-[[2-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-4-O-(aminocarbonyl)-2-deoxy-β-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)-
  • 4H-Imidazo[4,5-c]pyridin-4-one, 2-[[2-[3-amino-6-[3-amino-6-[3-amino-6-(3,6-diaminohexanamido)hexanamido]hexanamido]hexanamido]-2-deoxy-α-D-gulopyranosyl]amino]-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, 6′-carbamate
  • Streptothricin C
  • 4H-Imidazo[4,5-c]pyridin-4-one, 2-[[2-[[3-amino-6-[[3-amino-6-[[3-amino-6-[(3,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-4-O-(aminocarbonyl)-2-deoxy-β-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, [3aS-[2[R*[R*[R*(R*)]]],3aα,7α,7aβ]]-
  • (3aS,7R,7aS)-2-[[2-[[(3S)-3-Amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-4-O-(aminocarbonyl)-2-deoxy-β-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-4H-imidazo[4,5-c]pyridin-4-one

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Deleted or Replaced CAS Registry Numbers

27861-79-6

CAS INSIGHTSTM
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