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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]succinic acid Formula: C47H83N17O17 MolecularWeight: 1158.26562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H83N17O17/c1-22(2)16-28(61-44(78)30(19-35(68)69)60-38(72)24(50)17-32(51)65)43(77)58-25(10-5-7-13-48)41(75)62-29(18-33(52)66)39(73)56-21-34(67)64-37(23(3)4)45(79)59-26(11-6-8-14-49)40(74)57-27(12-9-15-55-47(53)54)42(76)63-31(46(80)81)20-36(70)71/h22-31,37H,5-21,48-50H2,1-4H3,(H2,51,65)(H2,52,66)(H,56,73)(H,57,74)(H,58,77)(H,59,79)(H,60,72)(H,61,78)(H,62,75)(H,63,76)(H,64,67)(H,68,69)(H,70,71)(H,80,81)(H4,53,54,55)/t24-,25-,26-,27-,28-,29-,30-,31-,37-/m0/s1