(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]butanediamide

Systemtic Name: (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]butanediamide Openeye Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2S)-1-[(2S)-5-guanidino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide CAS Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-1-oxo-2-[[(2S)-1-oxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]-3-phenylpropyl]amino]pentyl]amino]-1-oxopropyl]amino]-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentyl]amino]butanediamide IUPAC Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide Traditional Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2S)-1-[(2S)-5-guanidino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-ketoprolyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]pentanoyl]prolyl]amino]pentanoyl]amino]succinamide Formula: C52H75N17O10 MolecularWeight: 1098.2598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCN=C(N)N)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5CCC(=O)N5

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCC(=O)N5

InChI

InChI=1S/C52H75N17O10/c1-28(2)23-37(66-47(76)38(24-29-11-4-3-5-12-29)67-45(74)34-18-19-42(71)62-34)46(75)68-39(25-30-27-61-32-14-7-6-13-31(30)32)48(77)64-35(16-9-21-60-52(57)58)50(79)69-22-10-17-40(69)49(78)63-33(15-8-20-59-51(55)56)44(73)65-36(43(54)72)26-41(53)70/h3-7,11-14,27-28,33-40,61H,8-10,15-26H2,1-2H3,(H2,53,70)(H2,54,72)(H,62,71)(H,63,78)(H,64,77)(H,65,73)(H,66,76)(H,67,74)(H,68,75)(H4,55,56,59)(H4,57,58,60)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1