(Q77385481)

English

Catenulipeptin

bioactive natural product

In more languages

default values for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

biogenic cyclopeptide

0 references

2,397.059011944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉₉H₁₅₂N₃₂O₃₄S₂

0 references

canonical SMILES

CCC(C)C1NC(=O)CNC(=O)C(NC(=O)C(Cc2cnc[nH]2)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C2CSCC3(CC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc4cnc[nH]4)NC(=O)CN)C(=O)NCC(=O)NC(CC(C)C)C(=O)N3)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)N2)CC2(CSCC(C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC2=O)NC1=O

0 references

isomeric SMILES

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSC[C@@]3(C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N2)C[C@@]2(CSC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC2=O)NC1=O

0 references

Catenulispora acidiphila

1 reference

Biosynthesis of the class III lantipeptide catenulipeptin

Identifiers

InChI=1S/C99H152N32O34S2/c1-14-48(12)78-94(161)131-98(39-167-38-64(90(157)121-59(23-76(145)146)88(155)122-60(95(162)163)18-46(8)9)125-84(151)52(15-43(2)3)119-85(152)53(16-44(4)5)126-96(98)164)24-61(83(150)110-36-74(142)127-78)123-86(153)56(20-51-28-103-42-113-51)116-72(140)33-108-81(148)57(21-65(101)133)120-89(156)63-37-166-40-99(97(165)129-77(47(10)11)93(160)128-79(49(13)132)92(159)111-35-73(141)118-63)25-62(82(149)109-34-71(139)115-54(17-45(6)7)91(158)130-99)124-87(154)58(22-75(143)144)117-70(138)32-106-68(136)30-104-67(135)29-105-69(137)31-107-80(147)55(114-66(134)26-100)19-50-27-102-41-112-50/h27-28,41-49,52-64,77-79,132H,14-26,29-40,100H2,1-13H3,(H2,101,133)(H,102,112)(H,103,113)(H,104,135)(H,105,137)(H,106,136)(H,107,147)(H,108,148)(H,109,149)(H,110,150)(H,111,159)(H,114,134)(H,115,139)(H,116,140)(H,117,138)(H,118,141)(H,119,152)(H,120,156)(H,121,157)(H,122,155)(H,123,153)(H,124,154)(H,125,151)(H,126,164)(H,127,142)(H,128,160)(H,129,165)(H,130,158)(H,131,161)(H,143,144)(H,145,146)(H,162,163)/t48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,77-,78-,79-,98-,99-/m0/s1

0 references

AXDPBAOMGSGZMT-PMTSSQHDSA-N

2 references

language of work or name

Natural Product Atlas

language of work or name

2 references

language of work or name

matched by identifier from

AXDPBAOMGSGZMT-PMTSSQHDSA-N

1 reference

matched by identifier from

AXDPBAOMGSGZMT-PMTSSQHDSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C99H152N32O34S2/c1-14-48(12)78-94(161)131-98(39-167-38-64(90(157)121-59(23-76(145)146)88(155)122-60(95(162)163)18-46(8)9)125-84(151)52(15-43(2)3)119-85(152)53(16-44(4)5)126-96(98)164)24-61(83(150)110-36-74(142)127-78)123-86(153)56(20-51-28-103-42-113-51)116-72(140)33-108-81(148)57(21-65(101)133)120-89(156)63-37-166-40-99(97(165)129-77(47(10)11)93(160)128-79(49(13)132)92(159)111-35-73(141)118-63)25-62(82(149)109-34-71(139)115-54(17-45(6)7)91(158)130-99)124-87(154)58(22-75(143)144)117-70(138)32-106-68(136)30-104-67(135)29-105-69(137)31-107-80(147)55(114-66(134)26-100)19-50-27-102-41-112-50/h27-28,41-49,52-64,77-79,132H,14-26,29-40,100H2,1-13H3,(H2,101,133)(H,102,112)(H,103,113)(H,104,135)(H,105,137)(H,106,136)(H,107,147)(H,108,148)(H,109,149)(H,110,150)(H,111,159)(H,114,134)(H,115,139)(H,116,140)(H,117,138)(H,118,141)(H,119,152)(H,120,156)(H,121,157)(H,122,155)(H,123,153)(H,124,154)(H,125,151)(H,126,164)(H,127,142)(H,128,160)(H,129,165)(H,130,158)(H,131,161)(H,143,144)(H,145,146)(H,162,163)/t48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,77-,78-,79-,98-,99-/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

AXDPBAOMGSGZMT-PMTSSQHDSA-N

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