(Q105264539)

English

(2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-12-[(2R)-butan-2-yl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid

chemical compound

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subclass of

2-[[3-Benzyl-12-butan-2-yl-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid

1 reference

1 reference

956.511988376 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₉H₆₈N₁₀O₁₀

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canonical SMILES

CCC(C)C1NC(=O)C(NC(=O)NC(CCCNC(=N)N)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(CCc2ccc(O)cc2)N(C)C(=O)C(CCc2ccc(O)cc2)NC1=O

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isomeric SMILES

CC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCc2ccc(O)cc2)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O

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found in taxon

Planktothrix rubescens

1 reference

stated in

Isolation of new protein phosphatase inhibitors from two cyanobacteria species, Planktothrix spp.

Identifiers

InChI

InChI=1S/C49H68N10O10/c1-4-30(2)41-45(65)54-37(25-19-31-15-21-34(60)22-16-31)46(66)59(3)40(26-20-32-17-23-35(61)24-18-32)44(64)55-39(29-33-11-6-5-7-12-33)42(62)52-27-9-8-13-36(43(63)58-41)56-49(69)57-38(47(67)68)14-10-28-53-48(50)51/h5-7,11-12,15-18,21-24,30,36-41,60-61H,4,8-10,13-14,19-20,25-29H2,1-3H3,(H,52,62)(H,54,65)(H,55,64)(H,58,63)(H,67,68)(H4,50,51,53)(H2,56,57,69)/t30-,36-,37+,38+,39+,40+,41+/m1/s1

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InChIKey

TTWROJJNRKDVPJ-MWLLWTOOSA-N

0 references

2 references

15 September 2022

matched by identifier from

InChIKey

TTWROJJNRKDVPJ-MWLLWTOOSA-N

1 reference

(Q105264539)

(2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-12-[(2R)-butan-2-yl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid

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