(2R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2-amino-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-aminopropanoyl]prolyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-mercapto-propionic acid Formula: C48H89N17O14S MolecularWeight: 1160.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C48H89N17O14S/c1-26(2)37(45(76)62-33(24-67)43(74)59-29(13-5-8-18-50)42(73)63-34(25-80)47(78)79)64-36(68)22-56-38(69)32(23-66)61-41(72)28(12-4-7-17-49)57-40(71)31(15-10-20-55-48(53)54)58-39(70)30(14-6-9-19-51)60-44(75)35-16-11-21-65(35)46(77)27(3)52/h26-35,37,66-67,80H,4-25,49-52H2,1-3H3,(H,56,69)(H,57,71)(H,58,70)(H,59,74)(H,60,75)(H,61,72)(H,62,76)(H,63,73)(H,64,68)(H,78,79)(H4,53,54,55)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,37-/m0/s1