(2S)-2-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-(dimethylamino)-1,5-bis(oxidanylidene)pentan-2-yl]pentanediamide

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-(dimethylamino)-1,5-bis(oxidanylidene)pentan-2-yl]pentanediamide Openeye Name: (2S)-2-amino-N-[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-(dimethylamino)-4-oxo-butyl]pentanediamide CAS Name: (2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(dimethylamino)-1,5-dioxopentan-2-yl]pentanediamide IUPAC Name: (2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(dimethylamino)-1,5-dioxopentan-2-yl]pentanediamide Traditional Name: (2S)-2-amino-N-[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-4-(dimethylamino)-4-keto-butyl]glutaramide Formula: C43H64N10O9S MolecularWeight: 897.09486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N(C)C)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N(C)C)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C43H64N10O9S/c1-26(2)22-32(42(61)49-30(38(46)57)20-21-63-5)48-36(55)25-47-40(59)33(23-27-12-8-6-9-13-27)51-43(62)34(24-28-14-10-7-11-15-28)52-41(60)31(17-19-37(56)53(3)4)50-39(58)29(44)16-18-35(45)54/h6-15,26,29-34H,16-25,44H2,1-5H3,(H2,45,54)(H2,46,57)(H,47,59)(H,48,55)(H,49,61)(H,50,58)(H,51,62)(H,52,60)/t29-,30-,31-,32-,33-,34-/m0/s1