(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide

Base Information

• Chemical Name: (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
• CAS No.: 255861-98-4
• Molecular Formula: C32H49N9O5
• Molecular Weight: 639.78900
• DSSTox Substance ID: DTXSID20430981
• Nikkaji Number: J1.192.433F
• ChEMBL ID: CHEMBL2181202
• Mol file: 255861-98-4.mol

Synonyms:255861-98-4;(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide;CHEMBL2181202;(Dmt1)DALDA;[Dmt1]DALDA;SCHEMBL894852;BDBM85731;DTXSID20430981;BDBM50010483;LS-88415

Chemical Property of (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide

Chemical Property:

• PSA: 276.02000
• LogP: 5.71560
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 639.38566570
• Heavy Atom Count: 46
• Complexity: 991

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)N)N)C)O
• Isomeric SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N)N)C)O