(3S)-3-[[2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Acetyl]Amino]-4-[[(2S)-1-Hydroxy-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 144161-76-2]

Identification

• Name: (3S)-3-[[2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Acetyl]Amino]-4-[[(2S)-1-Hydroxy-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: (3S)-3-[[2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-4-[[(1S)-2-Hydroxy-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-4-[[(1S)-2-Hydroxy-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-4-[[(1S)-2-Hydroxy-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₂₃H₃₂N₈O₇
• Molecular Weight: 532.56
• CAS Registry Number: 144161-76-2
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)CC(O)=O)(CC1=C[NH]C2=CC=CC=C12)C(O)=O
• InChI: 1S/C23H32N8O7/c24-14(5-3-7-27-23(25)26)20(35)29-11-18(32)30-16(9-19(33)34)21(36)31-17(22(37)38)8-12-10-28-15-6-2-1-4-13(12)15/h1-2,4,6,10,14,16-17,28H,3,5,7-9,11,24H2,(H,29,35)(H,30,32)(H,31,36)(H,33,34)(H,37,38)(H4,25,26,27)/t14-,16-,17-/m0/s1
• InChIKey: IACNLTVRZIHFQK-XIRDDKMYSA-N

Properties

• Density: 1.566g/cm³ (Cal.)