Chemical Compound

MFCD00133362

CAS Registry Number 93755-85-2
MFCD00133362 chemical structure
Primary Record

MFCD00133362

In stock
9,688 g
Purity
99.3 %
CAS
93755-85-2

Compound Identifiers & Properties

CAS
93755-85-2
PubChem CID
176446144
SMILES
C[C@H]([C@@H](C(=N[C@@H](C(C)C)C(=N[C@@H](CC(C)C)C(=N[C@@H]([C@@H](C)O)C(=N[C@@H](CCCCN)C(=N[C@@H](CCSC)C(=N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=N[C@@H](CCCNC(=N)N)C(=NCC(=N[C@@H](CC(=N)O)C(=N[C@@H](CC3=CN=CN3)C(=N[C@@H](CC4=CNC5=CC=CC=C54)C(=N[C@@H](C)C(=N[C@@H](C(C)C)C(=NCC(=N[C@@H](CC6=CN=CN6)C(=N[C@@H](CC(C)C)C(=N[C@@H](CCSC)C(=N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N=C(CN=C(CN=C(CN=C([C@H](C)N=C([C@@H]7CCCN7C(=O)[C@H](CC(C)C)N=C([C@@H]8CCCN8C(=O)[C@H](C(C)C)N)O)O)O)O)O)O)O
Canonical SMILES
CSCC[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)CN=C(O)[C@@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=N)O)N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CCSC)N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=N)O

Names & Synonyms

  • MFCD00133362
  • C130H204N38O31S2
  • (2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo
  • 93755-85-2