(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]propanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]propanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]-4-(methylthio)butanoyl]amino]-4-(methylthio)butyric acid Formula: C53H96N16O15S2 MolecularWeight: 1261.55754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)O)N

InChI

InChI=1S/C53H96N16O15S2/c1-8-29(4)43(59)52(82)66-34(16-18-40(57)71)48(78)64-32(14-10-12-22-55)46(76)69-38(26-41(58)72)51(81)68-37(25-28(2)3)50(80)65-33(15-17-39(56)70)47(77)63-31(13-9-11-21-54)45(75)61-30(5)44(74)60-27-42(73)62-35(19-23-85-6)49(79)67-36(53(83)84)20-24-86-7/h28-38,43H,8-27,54-55,59H2,1-7H3,(H2,56,70)(H2,57,71)(H2,58,72)(H,60,74)(H,61,75)(H,62,73)(H,63,77)(H,64,78)(H,65,80)(H,66,82)(H,67,79)(H,68,81)(H,69,76)(H,83,84)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,43-/m0/s1