(Q103818324)

English

deamino-Val(2,3-dehydro)-DL-Val-DL-Tyr-DL-xiThr(1)-DL-Ala-Abu(2,3-dehydro)-DL-Glu-DL-Nva(Ph(4-OH))-(1)

group of stereoisomers with the chemical formula C₄₆H₆₁N₇O₁₃

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

919.4327350120002 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₆₁N₇O₁₃

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canonical SMILES

CC=C1NC(=O)C(C)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C=C(C)C)C(C)C)C(C)OC(=O)C(CCCc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC1=O

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Identifiers

InChI

InChI=1S/C46H61N7O13/c1-8-32-41(60)49-33(20-21-37(57)58)42(61)50-34(11-9-10-28-12-16-30(54)17-13-28)46(65)66-27(7)39(45(64)47-26(6)40(59)48-32)53-43(62)35(23-29-14-18-31(55)19-15-29)51-44(63)38(25(4)5)52-36(56)22-24(2)3/h8,12-19,22,25-27,33-35,38-39,54-55H,9-11,20-21,23H2,1-7H3,(H,47,64)(H,48,59)(H,49,60)(H,50,61)(H,51,63)(H,52,56)(H,53,62)(H,57,58)

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InChIKey

DEWDCJOBKUWRLJ-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

DEWDCJOBKUWRLJ-UHFFFAOYSA-N

(Q103818324)

deamino-Val(2,3-dehydro)-DL-Val-DL-Tyr-DL-xiThr(1)-DL-Ala-Abu(2,3-dehydro)-DL-Glu-DL-Nva(Ph(4-OH))-(1)

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