Chemical Compound

Oncocin 112

CAS Registry Number 1273548-87-0
Oncocin 112 chemical structure
Primary Record

Oncocin 112

In stock
3,757 g
Purity
98.4 %
CAS
1273548-87-0

Compound Identifiers & Properties

CAS
1273548-87-0
PubChem CID
176489941
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@@H]7CCCN7C(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)N
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(N)=O

Names & Synonyms

  • Oncocin 112
  • Onc112
  • EX-A13591
  • J3.680.007K
  • (3S)-3-{[(2S)-6-amino-1-[(2S)-2-[(2S)-2-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(2S)-5-carbamimidamido-1-[(2S)-2-{[(2S)-5-carbamimidamido-1-[(2S)-2-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-[(2S)-2-amino-3-methylbutanamido]propanoic acid
  • 1273548-87-0