(2S)-2-[[(2S)-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-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-(oxidanylamino)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-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-(oxidanylamino)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[16-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-16-oxo-hexadecanoyl]amino]-4-(hydroxyamino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,16-dioxohexadecyl]amino]-4-(hydroxyamino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[16-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-16-oxohexadecanoyl]amino]-4-(hydroxyamino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[16-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-16-keto-hexadecanoyl]amino]-4-(hydroxyamino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C48H73N7O11 MolecularWeight: 924.13352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(C(C)O)NC(=O)CCCCCCCCCCCCCCC(=O)NC(CC(=O)NO)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)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C48H73N7O11/c1-32(2)28-37(45(61)51-36(44(49)60)29-34-22-16-14-17-23-34)52-47(63)43(33(3)56)54-41(58)27-21-13-11-9-7-5-4-6-8-10-12-20-26-40(57)50-38(31-42(59)55-66)46(62)53-39(48(64)65)30-35-24-18-15-19-25-35/h14-19,22-25,32-33,36-39,43,56,66H,4-13,20-21,26-31H2,1-3H3,(H2,49,60)(H,50,57)(H,51,61)(H,52,63)(H,53,62)(H,54,58)(H,55,59)(H,64,65)/t33-,36+,37+,38+,39+,43+/m1/s1