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Substance Name: Didemnin C
RN: 77327-06-1
UNII: 68SK86968R
InChIKey: ZRSXZCRRAOVIJD-KNKJEZLASA-N

Molecular Formula

  • C52-H82-N6-O14

Molecular Weight

  • 1015.2478
 
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Names and Synonyms

Name of Substance

  • Didemnin C

Synonyms

  • Didemnin A, N-(2-hydroxy-1-oxopropyl)-, (S)-
  • L-Tyrosine, (2S)-2-hydroxypropanoyl-N-Methyl-D-leucyl-L-threonyl-(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoyl-(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoyl-L-leucyl-L-prolyl-N,O-dimethyl-, (8-3)-lactone
  • UNII-68SK86968R

Systematic Name

  • Didemnin C

Registry Numbers

CAS Registry Number

  • 77327-06-1

FDA UNII

  • 68SK86968R

System Generated Number

  • 0077327061

Structure Descriptors

InChI

1S/C52H82N6O14/c1-15-30(8)42-40(60)26-41(61)72-45(29(6)7)44(62)31(9)46(63)53-36(23-27(2)3)50(67)58-22-16-17-37(58)51(68)57(13)39(25-34-18-20-35(70-14)21-19-34)52(69)71-33(11)43(48(65)54-42)55-47(64)38(24-28(4)5)56(12)49(66)32(10)59/h18-21,27-33,36-40,42-43,45,59-60H,15-17,22-26H2,1-14H3,(H,53,63)(H,54,65)(H,55,64)/t30-,31-,32-,33+,36-,37-,38+,39-,40-,42+,43-,45-/m0/s1

InChIKey

ZRSXZCRRAOVIJD-KNKJEZLASA-N

Smiles

CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)O)C)Cc3ccc(cc3)OC)C)CC(C)C)C)C(C)C)O