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

Systemtic Name: (2S)-6-azanyl-N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]hexanamide Openeye Name: (2S)-6-amino-N-[(1S,2S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-4-amino-1-formyl-4-oxo-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanamide CAS Name: (2S)-6-amino-N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanamide IUPAC Name: (2S)-6-amino-N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanamide Traditional Name: (2S)-6-amino-N-[(1S,2S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-4-amino-1-formyl-4-keto-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanamide Formula: C53H92N18O10 MolecularWeight: 1141.41218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C=O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CN=CN2)N

InChI

InChI=1S/C53H92N18O10/c1-9-32(8)44(71-47(76)37(13-10-11-17-54)65-45(74)36(55)22-34-24-59-27-62-34)52(81)70-41(21-31(6)7)50(79)69-42(23-35-25-60-28-63-35)51(80)66-38(14-12-18-61-53(57)58)46(75)67-40(20-30(4)5)49(78)68-39(19-29(2)3)48(77)64-33(26-72)15-16-43(56)73/h24-33,36-42,44H,9-23,54-55H2,1-8H3,(H2,56,73)(H,59,62)(H,60,63)(H,64,77)(H,65,74)(H,66,80)(H,67,75)(H,68,78)(H,69,79)(H,70,81)(H,71,76)(H4,57,58,61)/t32-,33-,36-,37-,38-,39-,40-,41-,42-,44-/m0/s1