(Q104977101)

English

Oscillacyclamide A

chemical compound

In more languages

Statements

type of chemical entity

0 references

biogenic cyclopeptide

0 references

thiazole alkaloid

0 references

1,895.721817128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈₇H₁₀₉N₂₁O₂₂S₃

0 references

canonical SMILES

CC(C)=CCOC(C)C1NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)c2csc(n2)C(C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2csc(n2)C(C(C)C)NC(=O)C(C(C)C)NC(=O)c2csc(n2)C(CC(=O)O)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC1=O

0 references

isomeric SMILES

CC(C)=CCO[C@@H](C)[C@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)c2csc(n2)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O

0 references

1 reference

Cyclic peptide production using a macrocyclase with enhanced substrate promiscuity and relaxed recognition determinants.

Identifiers

InChI=1S/C87H109N21O22S3/c1-41(2)24-26-130-45(8)72-84(129)101-57(29-48-34-91-53-18-12-10-16-51(48)53)74(119)93-36-67(113)96-60(32-69(116)117)86-104-64(39-132-86)82(127)106-70(42(3)4)83(128)107-71(43(5)6)87-105-63(40-133-87)80(125)99-56(28-47-33-90-52-17-11-9-15-50(47)52)73(118)92-35-66(112)95-59(31-68(114)115)77(122)97-54(19-13-14-25-88)75(120)98-55(27-46-20-22-49(110)23-21-46)76(121)94-44(7)85-103-62(38-131-85)81(126)102-61(37-109)79(124)100-58(30-65(89)111)78(123)108-72/h9-12,15-18,20-24,33-34,38-40,42-45,54-61,70-72,90-91,109-110H,13-14,19,25-32,35-37,88H2,1-8H3,(H2,89,111)(H,92,118)(H,93,119)(H,94,121)(H,95,112)(H,96,113)(H,97,122)(H,98,120)(H,99,125)(H,100,124)(H,101,129)(H,102,126)(H,106,127)(H,107,128)(H,108,123)(H,114,115)(H,116,117)/t44-,45-,54+,55+,56-,57+,58+,59+,60+,61+,70+,71+,72+/m0/s1

0 references

DECBPJPIDHVROG-LEKXQQIESA-N

0 references

2 references

15 September 2022

matched by identifier from

DECBPJPIDHVROG-LEKXQQIESA-N

2 references

15 September 2022

matched by identifier from

DECBPJPIDHVROG-LEKXQQIESA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C87H109N21O22S3/c1-41(2)24-26-130-45(8)72-84(129)101-57(29-48-34-91-53-18-12-10-16-51(48)53)74(119)93-36-67(113)96-60(32-69(116)117)86-104-64(39-132-86)82(127)106-70(42(3)4)83(128)107-71(43(5)6)87-105-63(40-133-87)80(125)99-56(28-47-33-90-52-17-11-9-15-50(47)52)73(118)92-35-66(112)95-59(31-68(114)115)77(122)97-54(19-13-14-25-88)75(120)98-55(27-46-20-22-49(110)23-21-46)76(121)94-44(7)85-103-62(38-131-85)81(126)102-61(37-109)79(124)100-58(30-65(89)111)78(123)108-72/h9-12,15-18,20-24,33-34,38-40,42-45,54-61,70-72,90-91,109-110H,13-14,19,25-32,35-37,88H2,1-8H3,(H2,89,111)(H,92,118)(H,93,119)(H,94,121)(H,95,112)(H,96,113)(H,97,122)(H,98,120)(H,99,125)(H,100,124)(H,101,129)(H,102,126)(H,106,127)(H,107,128)(H,108,123)(H,114,115)(H,116,117)/t44-,45-,54+,55+,56-,57+,58+,59+,60+,61+,70+,71+,72+/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

DECBPJPIDHVROG-LEKXQQIESA-N

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