(Q27135205)

Longicalycinin A (English)

cyclo[Gly-Phe-D-Tyr-D-Pro-Phe]

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₃₇N₅O₆

1 reference

Longicalycinin A (English)

7 October 2016

canonical SMILES

C1CC2C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O)CC4=CC=CC=C4)CC5=CC=CC=C5

1 reference

Longicalycinin A (English)

7 October 2016

isomeric SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CC=C(C=C3)O)CC4=CC=CC=C4)CC5=CC=CC=C5

1 reference

Longicalycinin A, a New Cytotoxic Cyclic Peptide from Dianthus superbus var. longicalycinus (Maxim.) Will.

Longicalycinin A (English)

7 October 2016

2 references

stated in

Longicalycinin A, a new cytotoxic cyclic peptide from Dianthus superbus var. longicalycinus (MAXIM.) WILL.

Identifiers

InChI

InChI=1S/C34H37N5O6/c40-25-15-13-24(14-16-25)20-28-34(45)39-17-7-12-29(39)33(44)37-26(18-22-8-3-1-4-9-22)31(42)35-21-30(41)36-27(32(43)38-28)19-23-10-5-2-6-11-23/h1-6,8-11,13-16,26-29,40H,7,12,17-21H2,(H,35,42)(H,36,41)(H,37,44)(H,38,43)/t26-,27-,28-,29-/m0/s1

1 reference

Longicalycinin A (English)

CWNYOXLYNGDTSL-DZUOILHNSA-N

7 October 2016

InChIKey

2 references

Longicalycinin A (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Cyclo(glycyl-L-phenylalanyl-L-tyrosyl-L-prolyl-L-phenylalanyl) (English)

7 October 2016

2 references

Longicalycinin A (English)

matched by identifier from

7 October 2016

InChIKey

CWNYOXLYNGDTSL-DZUOILHNSA-N

Reaxys registry number

10138036

1 reference

longicalycinin A (English)

7 October 2016

ChEBI ID

66590

mapping relation type

2 references

longicalycinin A (English)