(2S)-2,6-bis(azanyl)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-6-(dimethylamino)-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]hexanamide

Systemtic Name: (2S)-2,6-bis(azanyl)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-6-(dimethylamino)-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]hexanamide Openeye Name: (2S)-2,6-diamino-N-[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-5-(dimethylamino)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-formyl-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]hexanamide CAS Name: (2S)-2,6-diamino-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-(dimethylamino)-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]hexanamide IUPAC Name: (2S)-2,6-diamino-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-(dimethylamino)-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]hexanamide Traditional Name: (2S)-2,6-diamino-N-[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-5-(dimethylamino)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-formyl-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]hexanamide Formula: C49H93N21O8 MolecularWeight: 1104.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(C(C)C)NC(=O)C(CCCCN(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C49H93N21O8/c1-29(2)24-37(44(76)63-31(27-71)14-11-20-59-47(52)53)68-46(78)39(30(3)4)69-43(75)34(16-8-10-23-70(5)6)65-41(73)36(18-13-22-61-49(56)57)66-45(77)38(25-32-26-58-28-62-32)67-42(74)35(17-12-21-60-48(54)55)64-40(72)33(51)15-7-9-19-50/h26-31,33-39H,7-25,50-51H2,1-6H3,(H,58,62)(H,63,76)(H,64,72)(H,65,73)(H,66,77)(H,67,74)(H,68,78)(H,69,75)(H4,52,53,59)(H4,54,55,60)(H4,56,57,61)/t31-,33-,34-,35-,36-,37-,38-,39-/m0/s1