(4S)-4-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]prolyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C53H97N17O15 MolecularWeight: 1212.44218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O)N

InChI

InChI=1S/C53H97N17O15/c1-28(2)40(68-42(74)30(5)57)51(83)70-26-14-19-38(70)50(82)61-31(6)43(75)62-32(15-7-10-22-54)44(76)63-33(16-8-11-23-55)45(77)65-35(18-13-25-60-53(58)59)46(78)66-36(20-21-39(72)73)48(80)64-34(17-9-12-24-56)47(79)67-37(27-71)49(81)69-41(29(3)4)52(84)85/h28-38,40-41,71H,7-27,54-57H2,1-6H3,(H,61,82)(H,62,75)(H,63,76)(H,64,80)(H,65,77)(H,66,78)(H,67,79)(H,68,74)(H,69,81)(H,72,73)(H,84,85)(H4,58,59,60)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1