(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]hexanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]hexanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]hexanoyl]amino]propionic acid Formula: C39H72N12O12 MolecularWeight: 901.06218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)N

InChI

InChI=1S/C39H72N12O12/c1-7-21(4)31(43)38(61)45-22(5)32(55)49-26(16-20(2)3)36(59)51-28(19-52)37(60)48-25(13-9-11-15-41)35(58)50-27(17-29(42)53)33(56)44-18-30(54)47-24(12-8-10-14-40)34(57)46-23(6)39(62)63/h20-28,31,52H,7-19,40-41,43H2,1-6H3,(H2,42,53)(H,44,56)(H,45,61)(H,46,57)(H,47,54)(H,48,60)(H,49,55)(H,50,58)(H,51,59)(H,62,63)/t21-,22-,23-,24-,25-,26-,27-,28-,31-/m0/s1