(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-N-[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-pentadecyl-sulfamoyl]-4-methyl-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]butanediamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-N-[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-pentadecyl-sulfamoyl]-4-methyl-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]butanediamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]-N-[(1S)-2-[[2-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[[(1S)-2-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-pentadecyl-sulfamoyl]methyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]butanediamide; 2,2,2-trifluoroacetic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-N-[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-pentadecylsulfamoyl]-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-N-[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-pentadecylsulfamoyl]-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-keto-butanoyl]amino]-N-[(1S)-2-[[2-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[[(1S)-2-[[(1S)-2-amino-2-keto-1-methylol-ethyl]amino]-2-keto-1-methylol-ethyl]-pentadecyl-sulfamoyl]methyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]succinamide; 2,2,2-trifluoroacetic acid Formula: C60H102F3N13O18S MolecularWeight: 1382.58839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCN(C(CO)C(=O)NC(CO)C(=O)N)S(=O)(=O)CC(CC(C)C)NC(=O)C(C(C)CC)NC(=O)C(C)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCCCCCCCCCCCCCN([C@@H](CO)C(=O)N[C@@H](CO)C(=O)N)S(=O)(=O)C[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C58H101N13O16S.C2HF3O2/c1-7-9-10-11-12-13-14-15-16-17-18-19-23-26-71(46(34-74)57(84)69-45(33-73)51(62)78)88(86,87)35-40(27-36(3)4)65-58(85)50(37(5)8-2)70-52(79)38(6)64-49(77)31-63-54(81)42(28-39-24-21-20-22-25-39)67-56(83)44(30-48(61)76)68-55(82)43(29-47(60)75)66-53(80)41(59)32-72;3-2(4,5)1(6)7/h20-22,24-25,36-38,40-46,50,72-74H,7-19,23,26-35,59H2,1-6H3,(H2,60,75)(H2,61,76)(H2,62,78)(H,63,81)(H,64,77)(H,65,85)(H,66,80)(H,67,83)(H,68,82)(H,69,84)(H,70,79);(H,6,7)/t37-,38-,40-,41-,42-,43-,44-,45-,46-,50-;/m0./s1