Methyl (2S)-2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-[1-(2-Nitrophenyl)Sulfanylindol-3-Yl]Propanoate
[CAS# 110800-95-8]

Identification

• Name: Methyl (2S)-2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-[1-(2-Nitrophenyl)Sulfanylindol-3-Yl]Propanoate
• Synonyms: Methyl (2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-[1-(2-Nitrophenyl)Sulfanylindol-3-Yl]Propanoate; (2S)-2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-3-[1-[(2-Nitrophenyl)Thio]-3-Indolyl]Propanoic Acid Methyl Ester; (2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-[1-[(2-Nitrophenyl)Thio]Indol-3-Yl]Propionic Acid Methyl Ester
• Molecular Formula: C₂₄H₂₉N₇O₅S
• Molecular Weight: 527.60
• CAS Registry Number: 110800-95-8
• SMILES: [C@H](NC(=O)[C@@H](N)CCCN=C(N)N)(CC2=C[N](SC1=CC=CC=C1[N+]([O-])=O)C3=CC=CC=C23)C(OC)=O
• InChI: 1S/C24H29N7O5S/c1-36-23(33)18(29-22(32)17(25)8-6-12-28-24(26)27)13-15-14-30(19-9-3-2-7-16(15)19)37-21-11-5-4-10-20(21)31(34)35/h2-5,7,9-11,14,17-18H,6,8,12-13,25H2,1H3,(H,29,32)(H4,26,27,28)/t17-,18-/m0/s1
• InChIKey: GQZQAJBNKMLYQV-ROUUACIJSA-N

Properties

• Density: 1.452g/cm³ (Cal.)