(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-mercapto-propanoyl]amino]-3-mercapto-propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butyric acid Formula: C40H68N14O15S2 MolecularWeight: 1049.18272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(C)NC(=O)C(CS)NC(=O)C(CS)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)N

Isomeric SMILES

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

InChI

InChI=1S/C40H68N14O15S2/c1-15(2)7-20(50-36(64)22(10-28(43)56)49-33(61)19(41)9-27(42)55)34(62)46-18(6)32(60)53-26(14-71)39(67)54-25(13-70)38(66)47-17(5)31(59)48-21(8-16(3)4)35(63)51-23(11-29(44)57)37(65)52-24(40(68)69)12-30(45)58/h15-26,70-71H,7-14,41H2,1-6H3,(H2,42,55)(H2,43,56)(H2,44,57)(H2,45,58)(H,46,62)(H,47,66)(H,48,59)(H,49,61)(H,50,64)(H,51,63)(H,52,65)(H,53,60)(H,54,67)(H,68,69)/t17-,18-,19-,20-,21-,22-,23-,24-,25-,26-/m0/s1