(2S)-2-[[(2S)-4-azanyl-2-[[16-[[(2S,3S)-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]-1,16-bis(oxidanylidene)hexadecan-8-yl]amino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[16-[[(2S,3S)-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]-1,16-bis(oxidanylidene)hexadecan-8-yl]amino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[9-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-9-oxo-1-(7-oxoheptyl)nonyl]amino]-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(2S,3S)-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-dioxohexadecan-8-yl]amino]-1,4-dioxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[16-[[(2S,3S)-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-dioxohexadecan-8-yl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[9-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-9-keto-1-(7-ketoheptyl)nonyl]amino]-4-keto-butanoyl]amino]-4-(methylthio)butyric acid Formula: C44H73N7O10S MolecularWeight: 892.15632

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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)CCCCCCCC(CCCCCCC=O)NC(CC(=O)N)C(=O)NC(CCSC)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)CCCCCCCC(CCCCCCC=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)O)O

InChI

InChI=1S/C44H73N7O10S/c1-29(2)26-35(41(57)49-34(40(46)56)27-31-18-12-11-13-19-31)50-43(59)39(30(3)53)51-38(55)22-16-9-5-7-14-20-32(21-15-8-6-10-17-24-52)47-36(28-37(45)54)42(58)48-33(44(60)61)23-25-62-4/h11-13,18-19,24,29-30,32-36,39,47,53H,5-10,14-17,20-23,25-28H2,1-4H3,(H2,45,54)(H2,46,56)(H,48,58)(H,49,57)(H,50,59)(H,51,55)(H,60,61)/t30-,32?,33-,34-,35-,36-,39-/m0/s1