(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-6-acetamido-1-oxidanylidene-1-[(2-oxidanylidenechromen-6-yl)amino]hexan-2-yl]amino]-6-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-azanyl-hexanamide

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-6-acetamido-1-oxidanylidene-1-[(2-oxidanylidenechromen-6-yl)amino]hexan-2-yl]amino]-6-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-azanyl-hexanamide Openeye Name: (2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-N-[(1S)-2-[[(1S)-1-[[(1S)-5-acetamido-1-[(2-oxochromen-6-yl)carbamoyl]pentyl]carbamoyl]-5-amino-pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-6-amino-hexanamide CAS Name: (2S)-2-[[(2S)-2-acetamido-4-methyl-1-oxopentyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-6-acetamido-1-oxo-1-[(2-oxo-1-benzopyran-6-yl)amino]hexan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-6-aminohexanamide IUPAC Name: (2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-6-acetamido-1-oxo-1-[(2-oxochromen-6-yl)amino]hexan-2-yl]amino]-6-amino-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-6-aminohexanamide Traditional Name: (2S)-N-[(1S)-2-[[(1S)-1-[[(1S)-5-acetamido-1-[(2-ketochromen-6-yl)carbamoyl]pentyl]carbamoyl]-5-amino-pentyl]amino]-2-keto-1-methylol-ethyl]-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-6-amino-hexanamide Formula: C40H63N9O10 MolecularWeight: 829.98252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCNC(=O)C)C(=O)NC1=CC2=C(C=C1)OC(=O)C=C2)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(=O)C)C(=O)NC1=CC2=C(C=C1)OC(=O)C=C2)NC(=O)C

InChI

InChI=1S/C40H63N9O10/c1-24(2)21-32(44-26(4)52)39(57)47-31(12-6-9-19-42)38(56)49-33(23-50)40(58)48-30(11-5-8-18-41)37(55)46-29(13-7-10-20-43-25(3)51)36(54)45-28-15-16-34-27(22-28)14-17-35(53)59-34/h14-17,22,24,29-33,50H,5-13,18-21,23,41-42H2,1-4H3,(H,43,51)(H,44,52)(H,45,54)(H,46,55)(H,47,57)(H,48,58)(H,49,56)/t29-,30-,31-,32-,33-/m0/s1