(3S)-3-[[2-[[(2S)-2-[(2-Aminoacetyl)Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]Acetyl]Amino]-4-[[(2S)-3-Hydroxy-1-[[(2S)-1-Hydroxy-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 140457-22-3]

Identification

• Name: (3S)-3-[[2-[[(2S)-2-[(2-Aminoacetyl)Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]Acetyl]Amino]-4-[[(2S)-3-Hydroxy-1-[[(2S)-1-Hydroxy-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: (3S)-3-[[2-[[(2S)-2-[(2-Aminoacetyl)Amino]-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-4-[[(1S)-2-[[(1S)-2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[2-[[(2S)-2-[(2-Amino-1-Oxoethyl)Amino]-5-Guanidino-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-4-[[(1S)-2-[[(1S)-2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[2-[[(2S)-2-(Glycylamino)-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-4-[[(1S)-2-[[(1S)-2-Hydroxy-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₂₆H₃₉N₉O₁₁
• Molecular Weight: 653.65
• CAS Registry Number: 140457-22-3
• SMILES: [C@H](NC(=O)CN)(CCCN=C(N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)CO)CC(O)=O
• InChI: 1S/C26H39N9O11/c27-10-19(38)32-15(2-1-7-30-26(28)29)22(42)31-11-20(39)33-16(9-21(40)41)23(43)35-18(12-36)24(44)34-17(25(45)46)8-13-3-5-14(37)6-4-13/h3-6,15-18,36-37H,1-2,7-12,27H2,(H,31,42)(H,32,38)(H,33,39)(H,34,44)(H,35,43)(H,40,41)(H,45,46)(H4,28,29,30)/t15-,16-,17-,18-/m0/s1
• InChIKey: VOESDNNEDODLBS-XSLAGTTESA-N

Properties

• Density: 1.594g/cm³ (Cal.)