Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Valinegramicidin C
RN: 58442-65-2
UNII: 8Z51IDG72X
InChIKey: HABZTEMEEGKJMS-ZVOVLZPRSA-N

Molecular Formula

  • C97-H139-N19-O18

Molecular Weight

  • 1859.2801
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Valinegramicidin C

Synonyms

  • 1-L-Valinegramicidin C
  • Gramicidin A, 1-L-valine-11-tyrosine
  • Tryptophanamide, formyl-L-valylglycyl-L-alanyl-D-leucyl-L-alanyl-D-valyl-L-valyl-D-valyl-L-tryptophyl-D-leucyl-L-tyrosyl-D-leucyl-L-tryptophyl-D-leucyl-N-2-hydroxyethyl-
  • UNII-8Z51IDG72X
  • Valinegramicidin C

Registry Numbers

CAS Registry Number

  • 58442-65-2

FDA UNII

  • 8Z51IDG72X

System Generated Number

  • 0058442652

Structure Descriptors

InChI

1S/C97H139N19O18/c1-50(2)37-71(106-84(121)58(17)104-79(120)48-102-94(131)80(54(9)10)103-49-118)87(124)105-59(18)85(122)114-82(56(13)14)96(133)116-83(57(15)16)97(134)115-81(55(11)12)95(132)113-78(44-63-47-101-70-30-24-21-27-67(63)70)93(130)109-72(38-51(3)4)88(125)110-75(41-60-31-33-64(119)34-32-60)91(128)107-74(40-53(7)8)90(127)112-77(43-62-46-100-69-29-23-20-26-66(62)69)92(129)108-73(39-52(5)6)89(126)111-76(86(123)98-35-36-117)42-61-45-99-68-28-22-19-25-65(61)68/h19-34,45-47,49-59,71-78,80-83,99-101,117,119H,35-44,48H2,1-18H3,(H,98,123)(H,102,131)(H,103,118)(H,104,120)(H,105,124)(H,106,121)(H,107,128)(H,108,129)(H,109,130)(H,110,125)(H,111,126)(H,112,127)(H,113,132)(H,114,122)(H,115,134)(H,116,133)/t58-,59-,71+,72+,73+,74+,75-,76-,77-,78-,80-,81+,82+,83-/m0/s1

InChIKey

HABZTEMEEGKJMS-ZVOVLZPRSA-N

Smiles

C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O