N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Amino]-1-Oxohexan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-4-Azidobenzamide
[CAS# 154447-48-0]

Identification

• Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Amino]-1-Oxohexan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-4-Azidobenzamide
• Synonyms: N-[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pentyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-4-Azido-Benzamide; N-[(1S)-2-[[(1S)-1-[[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]Pentyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-4-Azidobenzamide; N-[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pentyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]-4-Azido-Benzamide
• Molecular Formula: C₃₇H₄₇N₁₁O₅
• Molecular Weight: 725.85
• CAS Registry Number: 154447-48-0
• SMILES: [N+](=NC3=CC=C(C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)CC2=CC=CC=C2)C=C3)=[N-]
• InChI: 1S/C37H47N11O5/c1-2-3-15-28(44-36(53)31(23-25-13-8-5-9-14-25)46-33(50)26-17-19-27(20-18-26)47-48-41)34(51)43-29(16-10-21-42-37(39)40)35(52)45-30(32(38)49)22-24-11-6-4-7-12-24/h4-9,11-14,17-20,28-31H,2-3,10,15-16,21-23H2,1H3,(H2,38,49)(H,43,51)(H,44,53)(H,45,52)(H,46,50)(H4,39,40,42)/t28-,29-,30-,31-/m0/s1
• InChIKey: SOXDGENEVFEFJN-ORYMTKCHSA-N