(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(acetamidomethylsulfanyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(acetamidomethylsulfanyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(acetamidomethylsulfanyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexyl-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-(acetamidomethylthio)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(acetamidomethylsulfanyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-(methylthio)butanoyl]amino]-3-(acetamidomethylthio)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-valeramide Formula: C40H72N12O10S2 MolecularWeight: 945.20408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CO)NC(=O)C(CSCNC(=O)C)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1CCCCC1)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1CCCCC1)NC(=O)C

InChI

InChI=1S/C40H72N12O10S2/c1-22(2)17-29(33(41)56)50-38(61)31(19-53)51-39(62)32(20-64-21-45-24(4)54)52-36(59)28(14-16-63-6)48-34(57)23(3)46-35(58)27(13-10-15-44-40(42)43)49-37(60)30(47-25(5)55)18-26-11-8-7-9-12-26/h22-23,26-32,53H,7-21H2,1-6H3,(H2,41,56)(H,45,54)(H,46,58)(H,47,55)(H,48,57)(H,49,60)(H,50,61)(H,51,62)(H,52,59)(H4,42,43,44)/t23-,27-,28-,29-,30-,31-,32-/m0/s1