N-((9-Acridinyl)-4-Aminobutanoyl-Tyrosyl-Lysyl-Lysyl-Glycyl)-N'-(9-Acridinyl)-1,3-Diaminopropane
[CAS# 101817-45-2]

Identification

• Name: N-((9-Acridinyl)-4-Aminobutanoyl-Tyrosyl-Lysyl-Lysyl-Glycyl)-N'-(9-Acridinyl)-1,3-Diaminopropane
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[4-(Acridin-9-Ylamino)Butanoylamino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-6-Amino-Hexanoyl]Amino]-N-[3-(Acridin-9-Ylamino)Propyl]-6-Amino-N-(2-Amino-2-Oxo-Ethyl)Hexanamide; Formic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[4-(9-Acridinylamino)-1-Oxobutyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-6-Amino-1-Oxohexyl]Amino]-N-[3-(9-Acridinylamino)Propyl]-6-Amino-N-(2-Amino-2-Oxoethyl)Hexanamide; Formic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[4-(Acridin-9-Ylamino)Butanoylamino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-6-Amino-Hexanoyl]Amino]-N-[3-(Acridin-9-Ylamino)Propyl]-6-Amino-N-(2-Amino-2-Keto-Ethyl)Hexanamide; Formic Acid
• Molecular Formula: C₆₀H₇₅N₁₁O₁₄
• Molecular Weight: 1174.32
• CAS Registry Number: 101817-45-2
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCNC1=C3C(=NC2=C1C=CC=C2)C=CC=C3)CC4=CC=C(O)C=C4)CCCCN)(C(=O)N(CCCNC5=C7C(=NC6=C5C=CC=C6)C=CC=C7)CC(=O)N)CCCCN.O=CO.O=CO.O=CO.O=CO
• InChI: 1S/C56H67N11O6.4CH2O2/c57-30-11-9-23-47(54(71)66-48(24-10-12-31-58)56(73)67(36-50(59)69)34-14-33-61-53-41-17-3-7-21-45(41)63-46-22-8-4-18-42(46)53)65-55(72)49(35-37-26-28-38(68)29-27-37)64-51(70)25-13-32-60-52-39-15-1-5-19-43(39)62-44-20-6-2-16-40(44)52;4*2-1-3/h1-8,15-22,26-29,47-49,68H,9-14,23-25,30-36,57-58H2,(H2,59,69)(H,60,62)(H,61,63)(H,64,70)(H,65,72)(H,66,71);4*1H,(H,2,3)/t47-,48-,49-;;;;/m0..../s1
• InChIKey: RGUJWNOGSODCFA-FQDXXHFVSA-N

Properties

• Boiling point: 1317.9°C at 760 mmHg (Cal.)
• Flash point: 750.8°C (Cal.)