(Q104967684)

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-methylbutyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide

group of stereoisomers with the chemical formula C₃₈H₅₈ClN₉O₈

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

803.409687496 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₈ClN₉O₈

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canonical SMILES

CCC(C)CC1NC(=O)C(C(C)C)NC(=O)C(Cc2c[nH]c3ccc(Cl)cc23)NC(=O)C(C(O)C(N)=O)NC(=O)C(CCCN)NC(=O)C(C(C)CC)NC1=O

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isomeric SMILES

CCC(C)C[C@H]1NC(=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)NC(=O)[C@H]([C@H](C)CC)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/C38H58ClN9O8/c1-7-19(5)14-26-34(52)47-29(20(6)8-2)37(55)43-25(10-9-13-40)33(51)48-30(31(49)32(41)50)38(56)45-27(35(53)46-28(18(3)4)36(54)44-26)15-21-17-42-24-12-11-22(39)16-23(21)24/h11-12,16-20,25-31,42,49H,7-10,13-15,40H2,1-6H3,(H2,41,50)(H,43,55)(H,44,54)(H,45,56)(H,46,53)(H,47,52)(H,48,51)/t19?,20-,25+,26-,27+,28-,29+,30-,31+/m1/s1

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InChIKey

CPOQADXKEXQMQV-GINXNNMISA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

CPOQADXKEXQMQV-GINXNNMISA-N

(Q104967684)

(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-methylbutyl)-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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