(2S)-2-[[(2S,3R)-2-azanyl-3-[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-(2-azanylethanoylamino)-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]oxy-butanoyl]amino]-4-methyl-pentanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-azanyl-3-[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-(2-azanylethanoylamino)-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]oxy-butanoyl]amino]-4-methyl-pentanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-amino-3-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]oxy-butanoyl]amino]-4-methyl-pentanoic acid; 2,2,2-trifluoroacetic acid CAS Name: (2S)-2-[[(2S,3R)-2-amino-3-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[(2-amino-1-oxoethyl)amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropoxy]-1-oxobutyl]amino]-4-methylpentanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-amino-3-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]oxybutanoyl]amino]-4-methylpentanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-2-[[(2S,3R)-2-amino-3-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-(glycylamino)-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]oxy-butanoyl]amino]-4-methyl-valeric acid; 2,2,2-trifluoroacetic acid Formula: C51H76F3N9O13 MolecularWeight: 1080.19685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)C(C(=O)NC(CC(C)C)C(=O)O)N)NC(=O)CN.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N)NC(=O)CN.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C49H75N9O11.C2HF3O2/c1-10-30(8)42(57-38(59)25-50)47(65)54-34(21-27(2)3)43(61)52-26-39(60)53-35(23-32-17-13-11-14-18-32)44(62)58-41(29(6)7)46(64)56-37(24-33-19-15-12-16-20-33)49(68)69-31(9)40(51)45(63)55-36(48(66)67)22-28(4)5;3-2(4,5)1(6)7/h11-20,27-31,34-37,40-42H,10,21-26,50-51H2,1-9H3,(H,52,61)(H,53,60)(H,54,65)(H,55,63)(H,56,64)(H,57,59)(H,58,62)(H,66,67);(H,6,7)/t30-,31+,34-,35-,36-,37-,40-,41-,42-;/m0./s1