N-Formyl-norleucyl-leucyl-phenylalanyl-norleucyl-tyrosyl-N-epsilon-(6-(4'-azido-2'-nitrophenylamino)hexanoyl)lysine
[CAS# 84311-50-2]

Identification

• Name: N-Formyl-norleucyl-leucyl-phenylalanyl-norleucyl-tyrosyl-N-epsilon-(6-(4'-azido-2'-nitrophenylamino)hexanoyl)lysine
• Synonyms: (2S)-6-[6-[(4-Azido-2-Nitro-Phenyl)Amino]Hexanoylamino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Formamidohexanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Hexanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Hexanoic Acid; (2S)-6-[[6-[(4-Azido-2-Nitrophenyl)Amino]-1-Oxohexyl]Amino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Formamido-1-Oxohexyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxohexyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]Hexanoic Acid; L-Lysine, N6-(6-((4-Azido-2-Nitrophenyl)Amino)-1-Oxohexyl)-N2-(N-(N-(N-(N-(N-Formyl-L-Norleucyl)-L-Leucyl)-L-Phenylalanyl)-L-Norleucyl)-L-Tyrosyl)-
• Molecular Formula: C₅₅H₇₈N₁₂O₁₂
• Molecular Weight: 1099.29
• CAS Registry Number: 84311-50-2
• SMILES: [N+](=NC3=CC=C(NCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC=O)CCCC)CC(C)C)CC1=CC=CC=C1)CCCC)CC2=CC=C(O)C=C2)C(=O)O)C(=C3)[N+]([O-])=O)=[N-]
• InChI: 1S/C55H78N12O12/c1-5-7-19-42(59-35-68)50(71)62-45(31-36(3)4)52(73)64-46(32-37-17-11-9-12-18-37)53(74)60-43(20-8-6-2)51(72)63-47(33-38-23-26-40(69)27-24-38)54(75)61-44(55(76)77)21-14-16-30-58-49(70)22-13-10-15-29-57-41-28-25-39(65-66-56)34-48(41)67(78)79/h9,11-12,17-18,23-28,34-36,42-47,57,69H,5-8,10,13-16,19-22,29-33H2,1-4H3,(H,58,70)(H,59,68)(H,60,74)(H,61,75)(H,62,71)(H,63,72)(H,64,73)(H,76,77)/t42-,43-,44-,45-,46-,47-/m0/s1
• InChIKey: KPHWFSOLBPULFR-FQEQRRFLSA-N