(4S)-5-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-oxo-propyl]amino]-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-keto-propyl]amino]-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-valeric acid Formula: C31H55N11O14 MolecularWeight: 805.8337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N)O

InChI

InChI=1S/C31H55N11O14/c1-12(2)22(29(54)38-15(6-5-9-36-31(34)35)25(50)42-23(14(4)45)30(55)56)41-26(51)17(10-19(32)46)39-24(49)16(7-8-20(47)48)37-27(52)18(11-43)40-28(53)21(33)13(3)44/h12-18,21-23,43-45H,5-11,33H2,1-4H3,(H2,32,46)(H,37,52)(H,38,54)(H,39,49)(H,40,53)(H,41,51)(H,42,50)(H,47,48)(H,55,56)(H4,34,35,36)/t13-,14-,15+,16+,17+,18+,21+,22+,23+/m1/s1