(Q105279549)

English

(E)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methylpentanoyl]amino]-1-oxopentan-2-yl]amino]-4-oxobut-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

fatty acid amide

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mass

525.302329968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₉N₉O₆

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canonical SMILES

CC(C)CC(NC(C=O)CCCNC(=N)N)C(=O)NC(=O)C(CCCNC(=N)N)NC(=O)C=CC(=O)O

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isomeric SMILES

CC(C)C[C@H](N[C@H](C=O)CCCNC(=N)N)C(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)/C=C/C(=O)O

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found in taxon

Streptomyces

1 reference

stated in

Ro 09-1679, a novel thrombin inhibitor

Identifiers

InChI

InChI=1S/C22H39N9O6/c1-13(2)11-16(29-14(12-32)5-3-9-27-21(23)24)20(37)31-19(36)15(6-4-10-28-22(25)26)30-17(33)7-8-18(34)35/h7-8,12-16,29H,3-6,9-11H2,1-2H3,(H,30,33)(H,34,35)(H4,23,24,27)(H4,25,26,28)(H,31,36,37)/b8-7+/t14-,15-,16-/m0/s1

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InChIKey

UURDEIRBZBVABH-MMNKQPACSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UURDEIRBZBVABH-MMNKQPACSA-N

1 reference

(Q105279549)

(E)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methylpentanoyl]amino]-1-oxopentan-2-yl]amino]-4-oxobut-2-enoic acid

Statements

Identifiers

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