(Q115971659)

English

decanoyl-Trp-Asn-Asp-Thr(1)-Gly-Orn-Asp-D-Ala-Asp-Gly-D-Ser-Glu(3S-Me)-Asp(Ph(2-NH2))-(1)

chemical compound

In more languages

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

1,619.710366352 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-daptomycin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-daptomycin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₇₂H₁₀₁N₁₇O₂₆

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canonical SMILES

O=C(O)CC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCC)CC2=CNC=3C=CC=CC32)CC(=O)N)CC(=O)O)C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC1=O)CO)C(C)CC(=O)O)CC(=O)C=4C=CC=CC4N)C)CCCN)CC(=O)O)C

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isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C

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Trichoderma virens

1 reference

Trivirensols: Selectively Bacteriostatic Sesquiterpene Trimers from the Australian Termite Nest-Derived Fungus Trichoderma virens CMB-TN16

Identifiers

InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36+,37+,43-,44-,45-,46-,47-,48-,49-,50+,60-,61-/m0/s1

0 references

DOAKLVKFURWEDJ-KUSUSGESSA-N

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1 reference

3 January 2023

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

Sitelinks

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