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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]-methyl-amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]-methyl-amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexyl-1-oxopropyl]-methylamino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexylpropanoyl]-methylamino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]-methyl-amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-valeramide Formula: C38H69N11O9S MolecularWeight: 856.08776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H69N11O9S/c1-21(2)18-27(31(39)52)47-35(56)29(20-50)48-33(54)22(3)43-34(55)26(15-17-59-7)46-32(53)23(4)44-36(57)30(14-11-16-42-38(40)41)49(6)37(58)28(45-24(5)51)19-25-12-9-8-10-13-25/h21-23,25-30,50H,8-20H2,1-7H3,(H2,39,52)(H,43,55)(H,44,57)(H,45,51)(H,46,53)(H,47,56)(H,48,54)(H4,40,41,42)/t22-,23-,26-,27-,28-,29-,30-/m0/s1