(Q104937392)

English

(S)-2-[[(2S,3R)-1-[(S)-2-(Benzoylamino)-6-guanidinohexanoyl]-3-methyl-4-[(Z)-ethylidene]-2-pyrrolidinyl]carbonylamino]-4-methylpentanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[1-[2-Benzamido-6-(diaminomethylideneamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

1 reference

1 reference

542.321668444 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₂N₆O₅

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canonical SMILES

CC=C1CN(C(=O)C(CCCCNC(=N)N)NC(=O)c2ccccc2)C(C(=O)NC(CC(C)C)C(=O)O)C1C

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isomeric SMILES

C/C=C1\CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)c2ccccc2)[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H]1C

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found in taxon

Nocardiopsis lucentensis

1 reference

stated in

Lucentamycins A-D, cytotoxic peptides from the marine-derived actinomycete Nocardiopsis lucentensis.

Identifiers

InChI

InChI=1S/C28H42N6O5/c1-5-19-16-34(23(18(19)4)25(36)33-22(27(38)39)15-17(2)3)26(37)21(13-9-10-14-31-28(29)30)32-24(35)20-11-7-6-8-12-20/h5-8,11-12,17-18,21-23H,9-10,13-16H2,1-4H3,(H,32,35)(H,33,36)(H,38,39)(H4,29,30,31)/b19-5+/t18-,21+,22+,23+/m1/s1

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InChIKey

BJWAMDSUOTWAAR-UQFBLIRTSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BJWAMDSUOTWAAR-UQFBLIRTSA-N

1 reference

(Q104937392)

(S)-2-[[(2S,3R)-1-[(S)-2-(Benzoylamino)-6-guanidinohexanoyl]-3-methyl-4-[(Z)-ethylidene]-2-pyrrolidinyl]carbonylamino]-4-methylpentanoic acid

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Identifiers

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