(2S)-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2R)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(3H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]pentanediamide

Systemtic Name: (2S)-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2R)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(3H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]pentanediamide Openeye Name: (2S)-N-[(1R)-2-[[(1S)-2-[[(1R)-1-[[2-[[(1S)-2-[[(1R)-1-[[[(1R)-1-carbamoyl-3-methylsulfanyl-propyl]amino]methyl]-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(3H-indol-3-ylmethyl)-2-oxo-ethyl]-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]pentanediamide CAS Name: (2S)-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2R)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(3H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]pentanediamide IUPAC Name: (2S)-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(3H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanediamide Traditional Name: (2S)-N-[(1R)-2-[[(1S)-2-[[(1R)-1-[[2-[[(1S)-2-[[(1R)-1-[[[(1R)-1-carbamoyl-3-(methylthio)propyl]amino]methyl]-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]amino]-1-(3H-indol-3-ylmethyl)-2-keto-ethyl]-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]glutaramide Formula: C47H73N15O10S MolecularWeight: 1040.24202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2C=NC3=CC=CC=C23)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC(C)C)CN[C@H](CCSC)C(=O)N)NC(=O)[C@@H](CC2C=NC3=CC=CC=C23)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C47H73N15O10S/c1-24(2)15-29(21-54-33(41(51)66)13-14-73-6)58-46(71)36(17-28-20-52-23-56-28)59-39(65)22-55-47(72)40(25(3)4)62-42(67)26(5)57-45(70)35(16-27-19-53-32-10-8-7-9-30(27)32)61-44(69)34(11-12-37(49)63)60-43(68)31(48)18-38(50)64/h7-10,19-20,23-27,29,31,33-36,40,54H,11-18,21-22,48H2,1-6H3,(H2,49,63)(H2,50,64)(H2,51,66)(H,52,56)(H,55,72)(H,57,70)(H,58,71)(H,59,65)(H,60,68)(H,61,69)(H,62,67)/t26-,27?,29+,31-,33+,34-,35+,36-,40+/m0/s1