7-Phenylalanyl-corticotropin (4-10)
[CAS# 39877-09-3]

Identification

• Name: 7-Phenylalanyl-corticotropin (4-10)
• Synonyms: (4S)-4-[[(2S)-2-Amino-4-Methylsulfanyl-Butanoyl]Amino]-5-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-2-(Carboxymethylamino)-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-Amino-4-(Methylthio)-1-Oxobutyl]Amino]-5-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[[(1S)-2-(Carboxymethylamino)-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-Amino-4-(Methylthio)Butanoyl]Amino]-5-[[(1S)-2-[[(1R)-1-(Benzyl)-2-[[(1S)-1-[[(1S)-2-(Carboxymethylamino)-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-2-Keto-Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₄H₅₉N₁₃O₁₀S
• Molecular Weight: 962.09
• CAS Registry Number: 39877-09-3
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)CCC(O)=O)(CC1N=CN=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=C[NH]C4=CC=CC=C34)C(=O)NCC(O)=O
• InChI: 1S/C44H59N13O10S/c1-68-17-15-29(45)38(62)53-32(13-14-36(58)59)41(65)57-35(20-27-22-48-24-52-27)43(67)55-33(18-25-8-3-2-4-9-25)42(66)54-31(12-7-16-49-44(46)47)40(64)56-34(39(63)51-23-37(60)61)19-26-21-50-30-11-6-5-10-28(26)30/h2-6,8-11,21-22,24,27,29,31-35,50H,7,12-20,23,45H2,1H3,(H,51,63)(H,53,62)(H,54,66)(H,55,67)(H,56,64)(H,57,65)(H,58,59)(H,60,61)(H4,46,47,49)/t27?,29-,31-,32-,33+,34-,35-/m0/s1
• InChIKey: MASYCGZZLIHAQA-ZBBKWRRVSA-N

Properties

• Density: 1.486g/cm³ (Cal.)