(2S)-N-[(1S)-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-[(1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1R)-1-[({[(1S)-4-amino-1-[(5-amino-1-carbamoylpentyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-3-ethyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-carbamimidamidobutyl]-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]succinamide

Compound Identifiers & Properties

CAS

58694-52-3

PubChem CID

170924261

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(CC)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CCSC)C(=O)NC(CS)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)NC(CCCCN)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N

Canonical SMILES

CCC(CC)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)[C@@H](C)CC)[C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCSC)C(=O)NC(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)NC(CCCCN)C(N)=O