Lysyl-Prolyl-Isoleucyl-Glutamyl-Phenylalanyl-4-Nitrophenylalanyl-Arginyl-Leucine
[CAS# 98751-93-0]

Identification

• Name: Lysyl-Prolyl-Isoleucyl-Glutamyl-Phenylalanyl-4-Nitrophenylalanyl-Arginyl-Leucine
• Synonyms: (4S)-5-[[(1S)-2-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Nitrophenyl)Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Oxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-[[(2S,3S)-2-[[(2S)-1-[(2S)-2,6-Diaminohexanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methy
• Molecular Formula: C₅₂H₇₉N₁₃O₁₃
• Molecular Weight: 1094.28
• CAS Registry Number: 98751-93-0
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=C([N+]([O-])=O)C=C3)CCCN=C(N)N)CC(C)C)=O
• InChI: 1S/C52H79N13O13/c1-5-31(4)43(63-47(71)41-17-12-26-64(41)49(73)35(54)15-9-10-24-53)48(72)60-38(22-23-42(66)67)46(70)62-40(29-32-13-7-6-8-14-32)51(75)78-50(74)39(27-30(2)3)61-45(69)37(16-11-25-58-52(56)57)59-44(68)36(55)28-33-18-20-34(21-19-33)65(76)77/h6-8
• InChIKey: LCHZFQHFQBCEDU-IQZOZZQVSA-N

Properties

• Density: 1.396g/cm³ (Cal.)