Ethyl (2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]Acetyl]Amino]-3-Phenylpropanoate
[CAS# 117062-52-9]

Identification

• Name: Ethyl (2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]Acetyl]Amino]-3-Phenylpropanoate
• Synonyms: Ethyl (2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-3-Phenylpropanoic Acid Ethyl Ester; (2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propionic Acid Ethyl Ester
• Molecular Formula: C₂₈H₃₉N₇O₆
• Molecular Weight: 569.66
• CAS Registry Number: 117062-52-9
• SMILES: [C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)(CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(OCC)=O
• InChI: 1S/C28H39N7O6/c1-2-41-27(40)23(16-18-7-4-3-5-8-18)34-24(37)17-33-26(39)22(9-6-14-32-28(30)31)35-25(38)21(29)15-19-10-12-20(36)13-11-19/h3-5,7-8,10-13,21-23,36H,2,6,9,14-17,29H2,1H3,(H,33,39)(H,34,37)(H,35,38)(H4,30,31,32)/t21-,22+,23-/m0/s1
• InChIKey: DOLAHRVYTBNXSN-ZRBLBEILSA-N

Properties

• Density: 1.335g/cm³ (Cal.)