Leucyl-arginyl-glutaminyl-seryl-glutaminyl-phenylalanyl-valyl-glycyl-seryl-argininamide
[CAS# 149097-03-0]

Identification

• Name: Leucyl-arginyl-glutaminyl-seryl-glutaminyl-phenylalanyl-valyl-glycyl-seryl-argininamide
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-4-Amino-1-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Oxo-Butyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]-2-[[(2S)-2-[[(2S)-2-Amino-4-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-4-Amino-1-[[[(1S)-2-[[(1S)-1-[[[2-[[(1S)-2-[[(1S)-1-Carbamoyl-4-Guanidinobutyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Oxobutyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]-2-[[(2S)-2-[[(2S)-2-Amino-4-Methyl-1-Oxopentyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-4-Amino-1-[[(1S)-1-(Benzyl)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-Ethyl]Carbamoyl]-4-Keto-Butyl]Amino]-2-Keto-1-Methylol-Ethyl]-2-[[(2S)-2-[[(2S)-2-Amino-4-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Glutaramide
• Molecular Formula: C₅₀H₈₅N₁₉O₁₄
• Molecular Weight: 1176.34
• CAS Registry Number: 149097-03-0
• SMILES: [C@H](NC(=O)[C@@H](N)CC(C)C)(CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)CO)CO
• InChI: 1S/C50H85N19O14/c1-25(2)20-28(51)41(76)64-30(13-9-19-60-50(57)58)42(77)65-32(15-17-37(53)73)44(79)68-35(24-71)47(82)66-31(14-16-36(52)72)43(78)67-33(21-27-10-6-5-7-11-27)45(80)69-39(26(3)4)48(83)61-22-38(74)62-34(23-70)46(81)63-29(40(54)75)12-8-18-59-49(55)56/h5-7,10-11,25-26,28-35,39,70-71H,8-9,12-24,51H2,1-4H3,(H2,52,72)(H2,53,73)(H2,54,75)(H,61,83)(H,62,74)(H,63,81)(H,64,76)(H,65,77)(H,66,82)(H,67,78)(H,68,79)(H,69,80)(H4,55,56,59)(H4,57,58,60)/t28-,29-,30-,31-,32-,33-,34-,35-,39-/m0/s1
• InChIKey: MXFCWEFJWLZUIJ-RAUUPGJSSA-N

Properties

• Density: 1.491g/cm³ (Cal.)