(Q105382031)

English

(2S,3abeta,7abeta)-N-[(S)-1-(Hydroxymethyl)-4-guanidinobutyl]-1-[N-[(R)-1-oxo-2-hydroxy-3-(4-hydroxyphenyl)propyl]-L-leucyl]-6beta-hydroxyoctahydro-1H-indole-2alpha-carboxamide

chemical compound

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instance of

type of chemical entity

0 references

subclass of

N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-6-hydroxy-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

1 reference

1 reference

604.358447876 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3aS,6R,7aS)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-6-hydroxy-1-[(2S)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

1 reference

1 reference

C₃₀H₄₈N₆O₇

0 references

canonical SMILES

CC(C)CC(NC(=O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(=O)NC(CO)CCCNC(=N)N)CC2CCC(O)CC21

0 references

isomeric SMILES

CC(C)C[C@H](NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)N[C@H](CO)CCCNC(=N)N)C[C@@H]2CC[C@@H](O)C[C@@H]21

0 references

found in taxon

Microcystis aeruginosa

2 references

stated in

Micropeptins from Microcystis aeruginosa collected in Dalton reservoir, Israel

stated in

Aeruginosins, protease inhibitors from the cyanobacterium Microcystis aeruginosa

Identifiers

InChI

InChI=1S/C30H48N6O7/c1-17(2)12-23(35-28(42)26(40)13-18-5-8-21(38)9-6-18)29(43)36-24-15-22(39)10-7-19(24)14-25(36)27(41)34-20(16-37)4-3-11-33-30(31)32/h5-6,8-9,17,19-20,22-26,37-40H,3-4,7,10-16H2,1-2H3,(H,34,41)(H,35,42)(H4,31,32,33)/t19-,20-,22+,23-,24-,25-,26+/m0/s1

0 references

InChIKey

ZRJNSRDWYFDFAT-OUZOMVJXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZRJNSRDWYFDFAT-OUZOMVJXSA-N

1 reference

(Q105382031)

(2S,3abeta,7abeta)-N-[(S)-1-(Hydroxymethyl)-4-guanidinobutyl]-1-[N-[(R)-1-oxo-2-hydroxy-3-(4-hydroxyphenyl)propyl]-L-leucyl]-6beta-hydroxyoctahydro-1H-indole-2alpha-carboxamide

Statements

Identifiers

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