methyl (2S,3S)-2-[2-[[(2S)-2-[[(5S)-5-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(decanoylamino)pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-8-[bis(azanyl)methylideneamino]-4-oxidanylidene-octanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[2-[[(2S)-2-[[(5S)-5-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(decanoylamino)pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-8-[bis(azanyl)methylideneamino]-4-oxidanylidene-octanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[2-[[(2S)-2-[[(5S)-5-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-(decanoylamino)-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-8-guanidino-4-oxo-octanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[2-[[(2S)-2-[[(5S)-5-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-2-(1-oxodecylamino)pentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-8-(diaminomethylideneamino)-1,4-dioxooctyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[2-[[(2S)-2-[[(5S)-5-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-(decanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-8-(diaminomethylideneamino)-4-oxooctanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[2-[[(2S)-2-[[(5S)-5-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-(caprylamino)-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-8-guanidino-4-keto-octanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C50H94N14O10 MolecularWeight: 1051.36916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)OC

InChI

InChI=1S/C50H94N14O10/c1-9-11-12-13-14-15-16-24-38(66)59-35(23-20-29-57-50(54)55)45(70)64-42(32(5)6)47(72)61-36(21-17-18-27-51)44(69)60-34(22-19-28-56-49(52)53)37(65)25-26-39(67)62-41(31(3)4)46(71)58-30-40(68)63-43(33(7)10-2)48(73)74-8/h31-36,41-43H,9-30,51H2,1-8H3,(H,58,71)(H,59,66)(H,60,69)(H,61,72)(H,62,67)(H,63,68)(H,64,70)(H4,52,53,56)(H4,54,55,57)/t33-,34-,35-,36-,41-,42-,43-/m0/s1