(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-valeric acid Formula: C35H63N11O13 MolecularWeight: 845.94062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H63N11O13/c1-8-16(4)25(45-28(52)17(5)41-30(54)22(13-24(50)51)43-29(53)20(36)12-15(2)3)31(55)40-14-23(49)44-26(18(6)47)33(57)46-27(19(7)48)32(56)42-21(34(58)59)10-9-11-39-35(37)38/h15-22,25-27,47-48H,8-14,36H2,1-7H3,(H,40,55)(H,41,54)(H,42,56)(H,43,53)(H,44,49)(H,45,52)(H,46,57)(H,50,51)(H,58,59)(H4,37,38,39)/t16-,17-,18+,19+,20-,21-,22-,25-,26-,27-/m0/s1