(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S,3R)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-6-{[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]formamido}hexanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-6-{[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]formamido}hexanamido]-3-methylbutanamido]-3-methylpentanamido]-3-hydroxybutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]pentanedioic acid

Compound Identifiers & Properties

CAS

186692-46-6

PubChem CID

170923614

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCNC(=O)[C@H]1[C@@H](CC=N1)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)[C@H]2[C@@H](CC=N2)C)NC(=O)[C@H](CCCN=C(N)N)N

Canonical SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)[C@@H]1N=CC[C@H]1C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)[C@@H]1N=CC[C@H]1C)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC)[C@@H](C)O