(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]hexanoyl]prolyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C49H88N14O13 MolecularWeight: 1081.30902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O)N

InChI

InChI=1S/C49H88N14O13/c1-8-28(6)40(54)47(73)61-33(22-26(2)3)44(70)56-29(7)41(67)55-25-39(66)57-30(14-9-11-19-50)42(68)58-31(17-18-37(52)64)43(69)59-32(15-10-12-20-51)48(74)63-21-13-16-36(63)46(72)60-34(24-38(53)65)45(71)62-35(49(75)76)23-27(4)5/h26-36,40H,8-25,50-51,54H2,1-7H3,(H2,52,64)(H2,53,65)(H,55,67)(H,56,70)(H,57,66)(H,58,68)(H,59,69)(H,60,72)(H,61,73)(H,62,71)(H,75,76)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,40-/m0/s1