Chemical Compound

C120H198N42O36S2

CAS Registry Number 114547-28-3
C120H198N42O36S2 chemical structure
Primary Record

C120H198N42O36S2

In stock
5,019 g
Purity
99.5 %
CAS
114547-28-3

Compound Identifiers & Properties

CAS
114547-28-3
PubChem CID
176447316
SMILES
CCC(C)C1C(=NCC(=NC(C(=NC(C(=NC(C(=NCC(=NC(C(=NCC(=NC(CSSCC(C(=NC(C(=NCC(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=N1)O)CCCNC(=N)N)O)CC(=O)O)O)CC(C)C)O)CCCNC(=N)N)O)CCCNC(=N)N)O)O)CC2=CC=CC=C2)O)N=C(CN=C(C(CO)N=C(C(CC(=O)O)N)O)O)O)C(=NC(CC(=N)O)C(=NC(C(C)C)C(=NC(CC(C)C)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(CC3=CC=C(C=C3)O)C(=O)O)O)O)O)O)O)O)O)O)CC(C)C)O)O)CO)O)CC(C)C)O)CO)O)O
Canonical SMILES
CCC(C)C1N=C(O)C(CCCNC(=N)N)N=C(O)C(CC(=O)O)N=C(O)C(CC(C)C)N=C(O)C(CCCNC(=N)N)N=C(O)C(CCCNC(=N)N)N=C(O)CN=C(O)C(Cc2ccccc2)N=C(O)C(N=C(O)CN=C(O)C(CO)N=C(O)C(N)CC(=O)O)CSSCC(C(O)=NC(CC(=N)O)C(O)=NC(C(O)=NC(CC(C)C)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=NC(Cc2ccc(O)cc2)C(=O)O)C(C)C)N=C(O)CN=C(O)C(CC(C)C)N=C(O)CN=C(O)C(CO)N=C(O)C(CC(C)C)N=C(O)C(CO)N=C(O)CN=C1O

Names & Synonyms

  • C120H198N42O36S2
  • 114547-28-3
  • 3-amino-4-[[2-[[2-[[4-[[3-amino-1-[[1-[[1-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-49-benzyl-34-(carboxymethyl)-31,40,43-tris(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,19,37-triisobutyl-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-28-sec-butyl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacont-52-yl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid