(2S)-2-[[(2S)-4-azanyl-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-azanyl-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-16-oxidanylidene-hexadecanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-azanyl-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-16-oxidanylidene-hexadecanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-amino-1-[[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-16-oxo-hexadecanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,16-dioxohexadecyl]amino]-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-16-oxohexadecanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-amino-1-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-benzyl]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-16-keto-hexadecanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C54H73I4N7O12 MolecularWeight: 1519.815

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)N)NC(=O)C(C(C)O)NC(=O)CCCCCCCCCCCCCCC(=O)NC(CC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)N)NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C54H73I4N7O12/c1-31(2)23-41(51(72)62-40(50(60)71)27-34-24-38(57)49(39(58)25-34)77-35-28-36(55)48(70)37(56)29-35)63-53(74)47(32(3)66)65-46(69)22-18-13-11-9-7-5-4-6-8-10-12-17-21-45(68)61-42(30-44(59)67)52(73)64-43(54(75)76)26-33-19-15-14-16-20-33/h14-16,19-20,24-25,28-29,31-32,40-43,47,66,70H,4-13,17-18,21-23,26-27,30H2,1-3H3,(H2,59,67)(H2,60,71)(H,61,68)(H,62,72)(H,63,74)(H,64,73)(H,65,69)(H,75,76)/t32-,40+,41+,42+,43+,47+/m1/s1