Chemical Compound

MFCD00167940

CAS Registry Number 106612-94-6
MFCD00167940 chemical structure
Primary Record

MFCD00167940

In stock
7,572 g
Purity
99.2 %
CAS
106612-94-6

Compound Identifiers & Properties

CAS
106612-94-6
PubChem CID
176446405
SMILES
CC[C@H](C)[C@@H](C(=N[C@@H](C)C(=N[C@@H](CC1=CNC2=CC=CC=C21)C(=N[C@@H](CC(C)C)C(=N[C@@H](C(C)C)C(=N[C@@H](CCCCN)C(=NCC(=N[C@@H](CCCNC(=N)N)C(=NCC(=O)O)O)O)O)O)O)O)O)O)N=C([C@H](CC3=CC=CC=C3)N=C([C@H](CCC(=O)O)N=C([C@H](CCCCN)N=C([C@H](C)N=C([C@H](C)N=C([C@H](CCC(=N)O)N=C(CN=C([C@H](CCC(=O)O)N=C([C@H](CC(C)C)N=C([C@H](CC4=CC=C(C=C4)O)N=C([C@H](CO)N=C([C@H](CO)N=C([C@H](C(C)C)N=C([C@H](CC(=O)O)N=C([C@H](CO)N=C([C@H]([C@@H](C)O)N=C([C@H](CC5=CC=CC=C5)N=C([C@H]([C@@H](C)O)N=C(CN=C([C@H](CCC(=O)O)N=C([C@H](C)N=C([C@H](CC6=CN=CN6)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
Canonical SMILES
CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)CN=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](CCCCN)C(O)=NCC(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(=O)O)C(C)C

Names & Synonyms

  • MFCD00167940
  • C151H228N40O47
  • (4S)-5-[[2-[[(1S,2R)-1-[[(1S)-2-[[(1S,2R)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[2-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[2-[[(1S)-1-(carboxymethylcarbamoyl)-4-guanidino-butyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]carbamoyl]-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(carboxymethyl)-2-oxo
  • 106612-94-6