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Substance Name: (4,4'-Diaminopropionic acid)gramicidin S
RN: 87647-91-4
InChIKey: IXGZZCOPHBFCLM-UHFFFAOYSA-N

Note

  • Synthetic analog of gramicidin S which contains diaminopropionic acid residues instead of phenylalanine residues.

Molecular Weight

  • 1019.3
 
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Names and Synonyms

Name of Substance

  • (4,4'-Diaminopropionic acid)gramicidin S

Synonym

  • 4,4'-Dpa-gramicidin S

Systematic Name

  • Gramicidin S, 2-(3-amino-D-alanine)-7-(3-amino-D-alanine)-

Registry Numbers

CAS Registry Number

  • 87647-91-4

System Generated Number

  • 0087647914

Structure Descriptors

InChI

1S/C48H86N14O10/c1-25(2)21-31-41(65)57-33(23-51)47(71)61-19-11-15-35(61)43(67)60-38(28(7)8)46(70)54-30(14-10-18-50)40(64)56-32(22-26(3)4)42(66)58-34(24-52)48(72)62-20-12-16-36(62)44(68)59-37(27(5)6)45(69)53-29(13-9-17-49)39(63)55-31/h25-38H,9-24,49-52H2,1-8H3,(H,53,69)(H,54,70)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,68)(H,60,67)

InChIKey

IXGZZCOPHBFCLM-UHFFFAOYSA-N

Smiles

C(C(C)C)[C@@H]1NC(=O)[C@@H](NC([C@@H](NC([C@@H]2CCCN2C([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC([C@@H](NC([C@@H]2N(C([C@@H](NC1=O)CN)=O)CCC2)=O)C(C)C)=O)CC(C)C)CN)=O)=O)C(C)C)=O)CCCN