(Q105027077)

English

(3S,6S,9S,12S,13S,16S,19S)-6-benzyl-16-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-ynyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone

chemical compound

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instance of

type of chemical entity

0 references

subclass of

6-Benzyl-16-butan-2-yl-7,12,17-trimethyl-13-pent-4-ynyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone

1 reference

based on heuristic

inferred from SMILES

mass

736.44111488 dalton

1 reference

1 reference

C₄₁H₆₀N₄O₈

0 references

canonical SMILES

C#CCCCC1OC(=O)C(C(C)CC)N(C)C(=O)C2CCCN2C(=O)C(C(C)C)OC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)NC(=O)C1C

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isomeric SMILES

C#CCCC[C@@H]1OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C

0 references

found in taxon

Lyngbya majuscula

2 references

stated in

Isolation of homodolastatin 16, a new cyclic depsipeptide from a Kenyan collection of Lyngbya majuscula

stated in

Isolation of four new cyclic depsipeptides, antanapeptins A-D, and dolastatin 16 from a Madagascan collection of Lyngbya majuscula

Identifiers

InChI

InChI=1S/C41H60N4O8/c1-11-13-15-22-32-28(8)36(46)42-33(25(3)4)38(48)43(9)31(24-29-19-16-14-17-20-29)40(50)53-35(26(5)6)39(49)45-23-18-21-30(45)37(47)44(10)34(27(7)12-2)41(51)52-32/h1,14,16-17,19-20,25-28,30-35H,12-13,15,18,21-24H2,2-10H3,(H,42,46)/t27-,28-,30-,31-,32-,33-,34-,35-/m0/s1

0 references

InChIKey

HEWGADDUUGVTPF-KBUNNEATSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HEWGADDUUGVTPF-KBUNNEATSA-N

(Q105027077)

(3S,6S,9S,12S,13S,16S,19S)-6-benzyl-16-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-ynyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone

Statements

Identifiers

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