Primary Record
J533.172B
- In stock
- 4,581 g
- Purity
- 99.8 %
- CAS
- 145963-49-1
Compound Identifiers & Properties
- CAS
- 145963-49-1
- PubChem CID
- 171361216
- SMILES
- CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=CC=C5)N)C(=O)O)CCCCN)CCCCN)[C@@H](C)O
- Canonical SMILES
- CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CSSCC(C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C(CCCCN)NC1=O)C(C)C)C(C)C
Names & Synonyms
- J533.172B
- (4R,7S,10S,13S,16S,19S,22R)-22-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-4-methylpentanamido]propanamido]acetamido}-3-methylpentanamido]propanamido]propanamido]hexanamido]-3-methylbutanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-methylpentanamido]-3-phenylpropanamido]-7,10,19-tris(4-aminobutyl)-16-[(2S)-butan-2-yl]-13-[(1R)-1-hydroxyethyl]-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-4-carboxylic acid
- 145963-49-1