(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Butanedioic Acid
[CAS# 130022-72-9]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Butanedioic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Succinic Acid
• Molecular Formula: C₁₉H₂₈N₆O₇
• Molecular Weight: 452.47
• CAS Registry Number: 130022-72-9
• SMILES: [C@H](NC(=O)[C@@H](N)CCCN=C(N)N)(CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(O)=O)C(O)=O
• InChI: 1S/C19H28N6O7/c20-12(2-1-7-23-19(21)22)16(29)24-13(8-10-3-5-11(26)6-4-10)17(30)25-14(18(31)32)9-15(27)28/h3-6,12-14,26H,1-2,7-9,20H2,(H,24,29)(H,25,30)(H,27,28)(H,31,32)(H4,21,22,23)/t12-,13-,14-/m0/s1
• InChIKey: AOJYORNRFWWEIV-IHRRRGAJSA-N

Properties

• Density: 1.533g/cm³ (Cal.)