(2S)-6-azanyl-2-[2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]ethanoylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]ethanoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]acetyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]acetyl]amino]hexanoic acid Formula: C34H63N13O11 MolecularWeight: 829.94452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H63N13O11/c1-3-19(2)28(47-29(53)20(37)9-4-6-12-35)32(56)46-23(15-27(51)52)31(55)43-18-26(50)44-21(11-8-14-40-34(38)39)30(54)42-16-24(48)41-17-25(49)45-22(33(57)58)10-5-7-13-36/h19-23,28H,3-18,35-37H2,1-2H3,(H,41,48)(H,42,54)(H,43,55)(H,44,50)(H,45,49)(H,46,56)(H,47,53)(H,51,52)(H,57,58)(H4,38,39,40)/t19-,20-,21-,22-,23-,28-/m0/s1