L-arginyl-D-tryptophyl-4-methyl-L-phenylalanyl-D-tryptophyl-L-leucyl-L-Methioninamide
[CAS# 129244-81-1]

Identification

• Name: L-arginyl-D-tryptophyl-4-methyl-L-phenylalanyl-D-tryptophyl-L-leucyl-L-Methioninamide
• Synonyms: (2S)-N-[(1S)-1-[[(2R)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Carbamoyl]-3-Methylsulfanyl-Propyl]-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Methylphenyl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methyl-Pentanamide; (2S)-N-[(1S)-1-[[[(2R)-2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-Oxomethyl]-3-(Methylthio)Propyl]-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Methylphenyl)-1-Oxopropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-4-Methylpentanamide; (2S)-N-[(1S)-1-[[(2R)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Carbamoyl]-3-(Methylthio)Propyl]-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Methylphenyl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methyl-Valeramide
• Molecular Formula: C₄₉H₆₆N₁₂O₆S
• Molecular Weight: 951.20
• CAS Registry Number: 129244-81-1
• SMILES: [C@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(C=C1)C)CC2=C[NH]C3=CC=CC=C23)(CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NC(=O)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)CC4=C[NH]C5=CC=CC=C45
• InChI: 1S/C49H66N12O6S/c1-28(2)22-40(60-47(66)41(24-31-26-55-37-13-7-5-10-33(31)37)59-44(63)36(51)23-30-17-15-29(3)16-18-30)46(65)57-39(19-21-68-4)45(64)61-48(67)42(25-32-27-56-38-14-8-6-11-34(32)38)58-43(62)35(50)12-9-20-54-49(52)53/h5-8,10-11,13-18,26-28,35-36,39-42,55-56H,9,12,19-25,50-51H2,1-4H3,(H,57,65)(H,58,62)(H,59,63)(H,60,66)(H4,52,53,54)(H,61,64,67)/t35-,36-,39-,40-,41+,42+/m0/s1
• InChIKey: XYWLXVYDTHKSAT-ZZDDQDSOSA-N

Properties

• Density: 1.369g/cm³ (Cal.)