(Q104246343)

English

(3aS,7aS)-N-[4-(diaminomethylideneamino)butyl]-1-[(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

group of stereoisomers with the chemical formula C₂₉H₄₆N₆O₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

558.352968572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆N₆O₅

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canonical SMILES

CCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1C(C(=O)NCCCCNC(=N)N)CC2CCC(O)CC21

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isomeric SMILES

CCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1C(C(=O)NCCCCNC(=N)N)C[C@@H]2CCC(O)C[C@@H]21

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found in taxon

Nodularia spumigena

1 reference

stated in

New structural variants of aeruginosin produced by the toxic bloom forming cyanobacterium Nodularia spumigena

Identifiers

InChI

InChI=1S/C29H46N6O5/c1-2-3-4-7-26(38)34-23(16-19-8-11-21(36)12-9-19)28(40)35-24-18-22(37)13-10-20(24)17-25(35)27(39)32-14-5-6-15-33-29(30)31/h8-9,11-12,20,22-25,36-37H,2-7,10,13-18H2,1H3,(H,32,39)(H,34,38)(H4,30,31,33)/t20-,22?,23-,24-,25?/m0/s1

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InChIKey

CZUHQGZGSZYBTH-FWBPICPKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CZUHQGZGSZYBTH-FWBPICPKSA-N

(Q104246343)

(3aS,7aS)-N-[4-(diaminomethylideneamino)butyl]-1-[(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

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Identifiers

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