(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]propanoyl]amino]propanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]propanoyl]amino]propanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-butanoyl]prolyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]-4-keto-butyric acid Formula: C52H88N20O21 MolecularWeight: 1329.37652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(C(C)O)NC(=O)C1CCCN1C(=O)C(C(C)O)N

Isomeric SMILES

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

InChI

InChI=1S/C52H88N20O21/c1-21(2)39(70-49(90)40(25(6)75)71-47(88)31-10-8-14-72(31)50(91)38(56)24(5)74)48(89)68-26(9-7-13-59-52(57)58)43(84)61-17-35(79)63-23(4)42(83)64-22(3)41(82)60-18-37(81)66-30(20-73)44(85)62-19-36(80)65-28(15-33(54)77)46(87)67-27(11-12-32(53)76)45(86)69-29(51(92)93)16-34(55)78/h21-31,38-40,73-75H,7-20,56H2,1-6H3,(H2,53,76)(H2,54,77)(H2,55,78)(H,60,82)(H,61,84)(H,62,85)(H,63,79)(H,64,83)(H,65,80)(H,66,81)(H,67,87)(H,68,89)(H,69,86)(H,70,90)(H,71,88)(H,92,93)(H4,57,58,59)/t22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,38-,39-,40-/m0/s1