(Q115971036)

English

(2S)-2-[(2R,5S,8R,11R,14S,17S)-17-(3-aminopropyl)-14-[(2R)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

789.394037432 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₃₇H₅₆ClN₉O₈

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canonical SMILES

O=C(N)C(O)C1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CNC=3C=CC(Cl)=CC32)C(C)C)CC(C)C)C(C)CC)CCCN

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isomeric SMILES

CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccc(Cl)cc23)NC(=O)[C@@H]([C@H](O)C(N)=O)NC(=O)[C@H](CCCN)NC1=O

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found in taxon

Streptomyces noursei

1 reference

stated in

Noursamycins, Chlorinated Cyclohexapeptides Identified from Molecular Networking of Streptomyces noursei NTR-SR4

Identifiers

InChI

InChI=1S/C37H56ClN9O8/c1-7-19(6)28-36(54)42-24(9-8-12-39)32(50)47-29(30(48)31(40)49)37(55)44-26(14-20-16-41-23-11-10-21(38)15-22(20)23)34(52)45-27(18(4)5)35(53)43-25(13-17(2)3)33(51)46-28/h10-11,15-19,24-30,41,48H,7-9,12-14,39H2,1-6H3,(H2,40,49)(H,42,54)(H,43,53)(H,44,55)(H,45,52)(H,46,51)(H,47,50)/t19-,24+,25-,26+,27-,28+,29-,30+/m1/s1

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InChIKey

CUXAULQHGRSWLF-SJQKXPIOSA-N

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1 reference

3 January 2023

inferred from InChIKey

1 reference

(Q115971036)

(2S)-2-[(2R,5S,8R,11R,14S,17S)-17-(3-aminopropyl)-14-[(2R)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide

Statements

Identifiers

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