PRD_002277

Klebsazolicin

PRD_002277 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5W4K.

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Chemical Component Summary

NameKlebsazolicin
Identifiers2-[(1~{S})-3-azanyl-1-[[(2~{S})-2-[[2-[(1~{S})-1-[[(2~{S})-2-[[2-[(1~{S})-3-azanyl-1-[2-[[(2~{S})-1-[(2~{S})-2-[[(2~{S},5~{S})-2-(3-azanyl-3-oxidanylidene-propyl)-5-(hydroxymethyl)-6-oxidanylidene-2,5-dihydro-1~{H}-pyrazin-3-yl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-oxidanylidene-propyl]-3~{H}-1,3-thiazol-4-yl]carbonylamino]propanoyl]amino]-2-oxidanyl-ethyl]-3~{H}-1,3-thiazol-4-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-oxidanylidene-propyl]-~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{S})-3-azanyl-3-oxidanylidene-1-[4-[[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3~{H}-1,3-thiazol-2-yl]propyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-4,5-dihydro-3~{H}-1,3-oxazole-4-carboxamide
FormulaC64 H93 N23 O25 S3
Molecular Weight1,680.757
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H]([C@@H](C=O)NC(=O)C1=CS[C](N1)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)C2CO[C](N2)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)C3=CS[C](N3)[C@H](CO)NC(=O)[C@H](C)NC(=O)C4=CS[C](N4)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC6=N[C@H](C(=O)N[C@H]6CCC(=O)N)CO)O
InChIInChI=1S/C64H97N23O25S3/c1-24(49(100)78-31(12-46(68)98)62-85-40(22-114-62)57(108)79-32(14-88)27(4)94)70-52(103)34(16-90)80-50(101)25(2)71-55(106)38-20-112-60(83-38)29(10-44(66)96)77-54(105)35(17-91)81-58(109)41-23-115-63(86-41)36(18-92)82-51(102)26(3)72-56(107)39-21-113-61(84-39)30(11-45(67)97)73-47(99)13-69-59(110)42-6-5-9-87(42)64(111)37(19-93)75-48-28(7-8-43(65)95)76-53(104)33(15-89)74-48/h14,21-38,42,60-63,83-86,89-94H,5-13,15-20H2,1-4H3,(H2,65,95)(H2,66,96)(H2,67,97)(H2,68,98)(H,69,110)(H,70,103)(H,71,106)(H,72,107)(H,73,99)(H,74,75)(H,76,104)(H,77,105)(H,78,100)(H,79,108)(H,80,101)(H,81,109)(H,82,102)/t24-,25-,26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38+,42-,60?,61?,62?,63?/m0/s1
InChIKeyCVYKRFQEFKBXPZ-YYWOOZEGSA-N
CompositionPolymer Sequences: 9VA-SER-PRO-GLY-ASN-BB9-ALA-SER-BB9-SER-ASN-SER-ALA-SER-ALA-ASN-BB9-9VD
BIRD classANTIBIOTIC
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count208
Chiral Atom Count16
Bond Count213
Aromatic Bond Count0