Chemical Compound

J3.714.663C

J3.714.663C chemical structure
Primary Record

J3.714.663C

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177393129
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSCC1=CC(=O)OC2=CC(=C(C=C12)Br)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)C3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O)N
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CSCc1cc(=O)oc2cc(O)c(Br)cc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCSC)C(=O)O

Names & Synonyms

  • J3.714.663C
  • 5-{[(5S)-5-amino-5-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S,2R)-1-{[(1S)-5-amino-1-{[(1R)-2-{[(6-bromo-7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-2-hydroxypropyl]carbamoyl}pentyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
  • N6-[3-Carboxy-4-(3-oxo-6-hydroxy-3H-xanthene-9-yl)benzoyl]-L-Lys-L-Lys-L-Lys-L-Ser-L-Lys-L-Thr-L-Lys-S-[(2-oxo-6-bromo-7-hydroxy-2H-1-benzopyran-4-yl)methyl]-L-Cys-L-Val-L-Ile-L-Met-OH