(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-cyclohexyl-propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-cyclohexyl-propanoyl]amino]hexyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-cyclohexyl-propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-cyclohexyl-propanoyl]amino]hexyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-cyclohexyl-propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-cyclohexyl-propanoyl]amino]hexyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-cyclohexyl-1-oxopropyl]amino]-3-cyclohexyl-1-oxopropyl]amino]-3-cyclohexyl-1-oxopropyl]amino]hexyl]amino]-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-3-cyclohexylpropanoyl]amino]-3-cyclohexylpropanoyl]amino]hexyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-cyclohexyl-propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-cyclohexyl-propanoyl]amino]hexyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid Formula: C58H99N11O9 MolecularWeight: 1094.47496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CC=CC=C1)NCC(CCCCN)NC(=O)C(CC2CCCCC2)NC(=O)C(CC3CCCCC3)NC(=O)C(CC4CCCCC4)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC[C@H](CCCCN)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](CC4CCCCC4)N

InChI

InChI=1S/C58H99N11O9/c1-3-38(2)51(57(76)65-45(58(77)78)29-17-19-31-60)69-56(75)49(36-50(62)70)68-53(72)46(33-40-22-10-5-11-23-40)63-37-43(28-16-18-30-59)64-54(73)47(34-41-24-12-6-13-25-41)67-55(74)48(35-42-26-14-7-15-27-42)66-52(71)44(61)32-39-20-8-4-9-21-39/h5,10-11,22-23,38-39,41-49,51,63H,3-4,6-9,12-21,24-37,59-61H2,1-2H3,(H2,62,70)(H,64,73)(H,65,76)(H,66,71)(H,67,74)(H,68,72)(H,69,75)(H,77,78)/t38-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1