(2R)-2-[[(2R)-2-[[(2R)-5-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-(2-azanylundecanoylamino)-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2R)-2-[[(2R)-2-[[(2R)-5-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-(2-azanylundecanoylamino)-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2R)-2-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-(2-aminoundecanoylamino)-3-(2,3,4,5,6-pentafluorophenyl)propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2R)-2-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[(2-amino-1-oxoundecyl)amino]-1-oxo-3-(2,3,4,5,6-pentafluorophenyl)propyl]amino]-3-cyclohexyl-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2R)-2-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-(2-aminoundecanoylamino)-3-(2,3,4,5,6-pentafluorophenyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2R)-2-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-(2-aminoundecanoylamino)-3-(2,3,4,5,6-pentafluorophenyl)propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-keto-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-valeric acid Formula: C64H110F5N25O11 MolecularWeight: 1500.711116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)NC(CC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)NC(CC2CCCCC2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)N

Isomeric SMILES

CCCCCCCCCC(C(=O)N[C@H](CC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)N[C@H](CC2CCCCC2)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)O)N

InChI

InChI=1S/C64H110F5N25O11/c1-2-3-4-5-6-7-11-19-36(70)51(96)93-44(33-35-46(65)48(67)50(69)49(68)47(35)66)58(103)94-43(32-34-17-9-8-10-18-34)57(102)90-39(22-14-29-84-62(76)77)53(98)87-37(20-12-27-82-60(72)73)52(97)88-38(21-13-28-83-61(74)75)54(99)91-41(25-26-45(71)95)56(101)89-40(23-15-30-85-63(78)79)55(100)92-42(59(104)105)24-16-31-86-64(80)81/h34,36-44H,2-33,70H2,1H3,(H2,71,95)(H,87,98)(H,88,97)(H,89,101)(H,90,102)(H,91,99)(H,92,100)(H,93,96)(H,94,103)(H,104,105)(H4,72,73,82)(H4,74,75,83)(H4,76,77,84)(H4,78,79,85)(H4,80,81,86)/t36?,37-,38-,39-,40-,41-,42-,43-,44-/m1/s1