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

Systemtic Name: (2S)-2-[[(2S)-2-[[16-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-16-oxidanylidene-hexadecanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(1S,2R)-1-[[(1S)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-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)-2-carbamoyl-1-pyrrolidinyl]-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)-2-carbamoylpyrrolidin-1-yl]-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-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-16-keto-hexadecanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C44H71N7O10 MolecularWeight: 858.07544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)N)NC(=O)C(C(C)O)NC(=O)CCCCCCCCCCCCCCC(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C44H71N7O10/c1-29(2)26-33(43(59)51-25-19-22-35(51)40(46)56)48-42(58)39(30(3)52)50-38(55)24-18-13-11-9-7-5-4-6-8-10-12-17-23-37(54)47-32(28-36(45)53)41(57)49-34(44(60)61)27-31-20-15-14-16-21-31/h14-16,20-21,29-30,32-35,39,52H,4-13,17-19,22-28H2,1-3H3,(H2,45,53)(H2,46,56)(H,47,54)(H,48,58)(H,49,57)(H,50,55)(H,60,61)/t30-,32+,33+,34+,35+,39+/m1/s1