(2S)-1-[2-[2-[[(2S)-1-[2-[[(2S)-6-azanyl-2-[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonyl-(2-methylpropyl)amino]ethanoylamino]hexanoyl]-(2-methylpropyl)amino]ethanoyl]pyrrolidin-2-yl]carbonyl-(2-methylpropyl)amino]ethanoyl-(2-methylpropyl)amino]ethanoyl]-N-[2-[[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-N-(2-met

Systemtic Name: (2S)-1-[2-[2-[[(2S)-1-[2-[[(2S)-6-azanyl-2-[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonyl-(2-methylpropyl)amino]ethanoylamino]hexanoyl]-(2-methylpropyl)amino]ethanoyl]pyrrolidin-2-yl]carbonyl-(2-methylpropyl)amino]ethanoyl-(2-methylpropyl)amino]ethanoyl]-N-[2-[[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-N-(2-met Openeye Name: (2S)-1-[2-[[2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]-isobutyl-amino]acetyl]amino]hexanoyl]-isobutyl-amino]acetyl]pyrrolidine-2-carbonyl]-isobutyl-amino]acetyl]-isobutyl-amino]acetyl]-N-[2-[[(1S)-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]amino]-2-oxo-ethyl]-N-isobutyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[2-[[2-[[[(2S)-1-[2-[[(2S)-6-amino-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-(2-methylpropyl)amino]-1-oxoethyl]amino]-1-oxohexyl]-(2-methylpropyl)amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]-(2-methylpropyl)amino]-1-oxoethyl]-(2-methylpropyl)amino]-1-oxoethyl]-N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2- IUPAC Name: (2S)-1-[2-[[2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-(2-methylpropyl)amino]acetyl]amino]hexanoyl]-(2-methylpropyl)amino]acetyl]pyrrolidine-2-carbonyl]-(2-methylpropyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[2-[[2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]prolyl]-isobutyl-amino]acetyl]amino]hexanoyl]-isobutyl-amino]acetyl]prolyl]-isobutyl-amino]acetyl]-isobutyl-amino]acetyl]-N-[2-[[(1S)-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-ethyl]-N-isobutyl-pyrrolidine-2-carboxamide Formula: C75H137N21O13 MolecularWeight: 1541.02318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N(CC(C)C)CC(=O)NC(CCCCN)C(=O)N(CC(C)C)CC(=O)N2CCCC2C(=O)N(CC(C)C)CC(=O)N(CC(C)C)CC(=O)N3CCCC3C(=O)N(CC(C)C)CC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(C)C)CC(=O)N[C@@H](CCCCN)C(=O)N(CC(C)C)CC(=O)N2CCC[C@H]2C(=O)N(CC(C)C)CC(=O)N(CC(C)C)CC(=O)N3CCC[C@H]3C(=O)N(CC(C)C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N

InChI

InChI=1S/C75H137N21O13/c1-15-52(14)65(77)68(104)88-56(35-46(2)3)70(106)96-34-22-28-59(96)73(109)91(38-49(8)9)42-61(98)86-55(23-16-17-29-76)69(105)92(39-50(10)11)45-64(101)95-33-21-27-58(95)72(108)93(40-51(12)13)43-62(99)89(36-47(4)5)44-63(100)94-32-20-26-57(94)71(107)90(37-48(6)7)41-60(97)85-54(25-19-31-84-75(81)82)67(103)87-53(66(78)102)24-18-30-83-74(79)80/h46-59,65H,15-45,76-77H2,1-14H3,(H2,78,102)(H,85,97)(H,86,98)(H,87,103)(H,88,104)(H4,79,80,83)(H4,81,82,84)/t52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1