(Q105281768)

English

(2S,3R)-N-[(2S,3S)-1-[(3S,7S,10S,13E)-10-benzyl-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]-3-methyl-2-(methylamino)pentanamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

biogenic cyclopeptide

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mass

647.368284288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₉N₅O₆

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canonical SMILES

CCC(C)C(NC)C(=O)NC(C(=O)N1CCC2Oc3ccc(OC)c(c3)C=CNC(=O)C(Cc3ccccc3)NC(=O)C21)C(C)CC

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isomeric SMILES

CC[C@@H](C)[C@H](NC)C(=O)N[C@H](C(=O)N1CC[C@@H]2Oc3ccc(OC)c(c3)/C=C/NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]21)[C@@H](C)CC

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found in taxon

Paliurus

1 reference

stated in

Cyclopeptide alkaloids from stems of Paliurus ramossisimus

Identifiers

InChI

InChI=1S/C36H49N5O6/c1-7-22(3)30(37-5)34(43)40-31(23(4)8-2)36(45)41-19-17-29-32(41)35(44)39-27(20-24-12-10-9-11-13-24)33(42)38-18-16-25-21-26(47-29)14-15-28(25)46-6/h9-16,18,21-23,27,29-32,37H,7-8,17,19-20H2,1-6H3,(H,38,42)(H,39,44)(H,40,43)/b18-16+/t22-,23+,27+,29+,30+,31+,32+/m1/s1

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InChIKey

UYOZQGGQHDIVSC-MZGKBVBVSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105281768)

(2S,3R)-N-[(2S,3S)-1-[(3S,7S,10S,13E)-10-benzyl-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]-3-methyl-2-(methylamino)pentanamide

Statements

Identifiers

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