(Q105252817)

English

(2S,3R)-N-[(2S,3R)-1-[(3S,7S,10S,13E)-10-[(2R)-butan-2-yl]-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-methylpentanamide

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic cyclopeptide

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mass

627.399584416 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₅₃N₅O₆

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canonical SMILES

CCC(C)C1NC(=O)C2C(CCN2C(=O)C(NC(=O)C(C(C)CC)N(C)C)C(C)CC)Oc2ccc(OC)c(c2)C=CNC1=O

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isomeric SMILES

CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CC)N(C)C)[C@H](C)CC)Oc2ccc(OC)c(c2)/C=C/NC1=O

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found in taxon

Paliurus

1 reference

stated in

Cyclopeptide alkaloids from stems of Paliurus ramossisimus

Identifiers

InChI

InChI=1S/C34H53N5O6/c1-10-20(4)27-31(40)35-17-15-23-19-24(13-14-25(23)44-9)45-26-16-18-39(30(26)33(42)36-27)34(43)28(21(5)11-2)37-32(41)29(38(7)8)22(6)12-3/h13-15,17,19-22,26-30H,10-12,16,18H2,1-9H3,(H,35,40)(H,36,42)(H,37,41)/b17-15+/t20-,21-,22-,26+,27+,28+,29+,30+/m1/s1

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InChIKey

SHBIMKKIABDMOU-OPVWCOMOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105252817)

(2S,3R)-N-[(2S,3R)-1-[(3S,7S,10S,13E)-10-[(2R)-butan-2-yl]-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-methylpentanamide

Statements

Identifiers

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