L-Seryl-L-a-aspartyl-L-arginyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-arginyl-L-Phenylalaninamide
[CAS# 113611-67-9]

Identification

• Name: L-Seryl-L-a-aspartyl-L-arginyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-arginyl-L-Phenylalaninamide
• Synonyms: (3S)-4-[[(1S)-1-[[(1S)-3-Amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-3-Oxo-Propyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-3-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-1-[[[(1S)-3-Amino-1-[[[(1S)-2-[[(1S)-1-[[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-3-Oxopropyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-3-[[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-1-[[(1S)-3-Amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-3-Keto-Propyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-3-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₇H₇₂N₁₆O₁₂
• Molecular Weight: 1053.19
• CAS Registry Number: 113611-67-9
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)CC(O)=O)CCCN=C(N)N)CC(=O)N)CC1=CC=CC=C1)(CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N
• InChI: 1S/C47H72N16O12/c1-25(2)19-32(42(72)57-29(15-9-17-55-46(51)52)40(70)59-31(38(50)68)20-26-11-5-3-6-12-26)61-43(73)33(21-27-13-7-4-8-14-27)62-44(74)34(22-36(49)65)63-41(71)30(16-10-18-56-47(53)54)58-45(75)35(23-37(66)67)60-39(69)28(48)24-64/h3-8,11-14,25,28-35,64H,9-10,15-24,48H2,1-2H3,(H2,49,65)(H2,50,68)(H,57,72)(H,58,75)(H,59,70)(H,60,69)(H,61,73)(H,62,74)(H,63,71)(H,66,67)(H4,51,52,55)(H4,53,54,56)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
• InChIKey: XDWWLWMXAUKGDZ-DZCXQCEKSA-N

Properties

• Density: 1.476g/cm³ (Cal.)