(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]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]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]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]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]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]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]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]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]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]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-valeramide Formula: C38H69N11O9 MolecularWeight: 824.02276

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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(CC(C)C)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](CC(C)C)C(=O)N[C@@H](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/C38H69N11O9/c1-20(2)16-27(31(39)52)47-37(58)30(19-50)49-33(54)23(6)44-35(56)28(17-21(3)4)48-32(53)22(5)43-34(55)26(14-11-15-42-38(40)41)46-36(57)29(45-24(7)51)18-25-12-9-8-10-13-25/h20-23,25-30,50H,8-19H2,1-7H3,(H2,39,52)(H,43,55)(H,44,56)(H,45,51)(H,46,57)(H,47,58)(H,48,53)(H,49,54)(H4,40,41,42)/t22-,23-,26-,27-,28-,29-,30-/m0/s1