(Q105196032)

English

2-[(3S,6S,9S,12S,15S,16S)-12-[3-[[amino-(methylcarbamoylamino)methylidene]amino]propyl]-9-benzyl-3,10,15-trimethyl-2,5,8,11,14-pentaoxo-16-[(E)-pent-2-enyl]-1,4,7,10,13-pentazacyclohexadec-6-yl]acetic acid

chemical compound

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type of chemical entity

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subclass of

2-[12-[3-[[Amino-(methylcarbamoylamino)methylidene]amino]propyl]-9-benzyl-3,10,15-trimethyl-2,5,8,11,14-pentaoxo-16-pent-2-enyl-1,4,7,10,13-pentazacyclohexadec-6-yl]acetic acid

1 reference

based on heuristic

inferred from SMILES

mass

713.386059592 dalton

1 reference

1 reference

C₃₄H₅₁N₉O₈

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canonical SMILES

CCC=CCC1NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccccc2)N(C)C(=O)C(CCCNC(=N)NC(=O)NC)NC(=O)C1C

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isomeric SMILES

CC/C=C/C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCNC(=N)NC(=O)NC)NC(=O)[C@H]1C

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found in taxon

Nostoc

1 reference

stated in

Banyasin A and banyasides A and B, three novel modified peptides from a water bloom of the cyanobacterium Nostoc sp.

Identifiers

InChI

InChI=1S/C34H51N9O8/c1-6-7-9-15-23-20(2)28(46)40-24(16-12-17-37-33(35)42-34(51)36-4)32(50)43(5)26(18-22-13-10-8-11-14-22)31(49)41-25(19-27(44)45)30(48)38-21(3)29(47)39-23/h7-11,13-14,20-21,23-26H,6,12,15-19H2,1-5H3,(H,38,48)(H,39,47)(H,40,46)(H,41,49)(H,44,45)(H4,35,36,37,42,51)/b9-7+/t20-,21-,23-,24-,25-,26-/m0/s1

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InChIKey

OPFHYLNKVKPGNV-INNVHERFSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105196032)

2-[(3S,6S,9S,12S,15S,16S)-12-[3-[[amino-(methylcarbamoylamino)methylidene]amino]propyl]-9-benzyl-3,10,15-trimethyl-2,5,8,11,14-pentaoxo-16-[(E)-pent-2-enyl]-1,4,7,10,13-pentazacyclohexadec-6-yl]acetic acid

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