(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxybutanoyl]Amino]-N-[(2S)-1-[[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-5-(Diaminomethylideneamino)Pentanamide
[CAS# 135014-49-2]

Identification

• Name: (2S)-2-[[(2S,3R)-2-Amino-3-Hydroxybutanoyl]Amino]-N-[(2S)-1-[[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-5-(Diaminomethylideneamino)Pentanamide
• Synonyms: (2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-N-[(1S)-2-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Guanidino-Pentanamide; (2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-N-[(1S)-2-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Guanidinopentanamide; (2S)-N-[(1S)-2-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-5-Guanidino-Valeramide
• Molecular Formula: C₂₈H₄₀N₈O₅
• Molecular Weight: 568.67
• CAS Registry Number: 135014-49-2
• SMILES: [C@H](NC(=O)[C@@H](N)[C@H](O)C)(CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N
• InChI: 1S/C28H40N8O5/c1-17(37)23(29)27(41)34-20(13-8-14-33-28(31)32)25(39)36-22(16-19-11-6-3-7-12-19)26(40)35-21(24(30)38)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-23,37H,8,13-16,29H2,1H3,(H2,30,38)(H,34,41)(H,35,40)(H,36,39)(H4,31,32,33)/t17-,20+,21+,22+,23+/m1/s1
• InChIKey: DKJIDMVTHCJNIY-GLBNMMOUSA-N

Properties

• Density: 1.364g/cm³ (Cal.)