(2R)-2-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(6-chloranyl-5-oxidanyl-1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2R)-2-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(6-chloranyl-5-oxidanyl-1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2R)-2-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[(6-chloro-5-hydroxy-1H-indol-3-yl)methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]carbamoylamino]-5-guanidino-pentanoic acid CAS Name: (2R)-2-[[[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(6-chloro-5-hydroxy-1H-indol-3-yl)-1-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2R)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(6-chloro-5-hydroxy-1H-indol-3-yl)-1-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2R)-2-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[(6-chloro-5-hydroxy-1H-indol-3-yl)methyl]-2-hydroxy-2-keto-ethyl]carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pentyl]carbamoylamino]-5-guanidino-valeric acid Formula: C40H64ClN11O10 MolecularWeight: 894.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)C(CC(C)C)C(=O)NC(CC1=CNC2=CC(=C(C=C21)O)Cl)C(=O)O)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC(=C(C=C21)O)Cl)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)N[C@H](CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C40H64ClN11O10/c1-20(2)14-29(48-33(54)22(5)47-34(55)26(10-7-8-12-42)50-40(62)51-27(37(58)59)11-9-13-45-39(43)44)36(57)52(6)31(15-21(3)4)35(56)49-30(38(60)61)16-23-19-46-28-18-25(41)32(53)17-24(23)28/h17-22,26-27,29-31,46,53H,7-16,42H2,1-6H3,(H,47,55)(H,48,54)(H,49,56)(H,58,59)(H,60,61)(H4,43,44,45)(H2,50,51,62)/t22-,26-,27+,29-,30-,31-/m0/s1