(Q105256725)

English

(2S)-N-[(2S)-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]-1-oxo-3-phenylpropan-2-yl]-2-(methylamino)-3-phenylpropanamide

chemical compound

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1 reference

N-[1-(10-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)-1-oxo-3-phenylpropan-2-yl]-2-(methylamino)-3-phenylpropanamide

1 reference

based on heuristic

inferred from SMILES

mass

681.352634224 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-N-[(2S)-1-[(3S,7S,10R,13Z)-10-[(2S)-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]-1-oxo-3-phenylpropan-2-yl]-2-(methylamino)-3-phenylpropanamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₄₇N₅O₆

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canonical SMILES

CCC(C)C1NC(=O)C2C(CCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC)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](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC)Oc2ccc(OC)c(c2)/C=C/NC1=O

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found in taxon

Paliurus

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stated in

Cyclopeptide alkaloids from stems of Paliurus ramossisimus

Identifiers

InChI

InChI=1S/C39H47N5O6/c1-5-25(2)34-37(46)41-20-18-28-24-29(16-17-32(28)49-4)50-33-19-21-44(35(33)38(47)43-34)39(48)31(23-27-14-10-7-11-15-27)42-36(45)30(40-3)22-26-12-8-6-9-13-26/h6-18,20,24-25,30-31,33-35,40H,5,19,21-23H2,1-4H3,(H,41,46)(H,42,45)(H,43,47)/b20-18+/t25-,30+,31+,33+,34+,35+/m1/s1

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InChIKey

SNWHKTIWFKSSGY-YJEBIXLPSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105256725)

(2S)-N-[(2S)-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]-1-oxo-3-phenylpropan-2-yl]-2-(methylamino)-3-phenylpropanamide

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