(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]prolyl]amino]-4-methyl-valeric acid Formula: C50H90N16O11 MolecularWeight: 1091.3502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C50H90N16O11/c1-25(2)23-33(61-42(70)32(59-39(67)29(9)51)16-12-20-57-50(54)55)46(74)65-21-13-17-35(65)43(71)60-31(15-11-19-56-49(52)53)41(69)58-30(10)40(68)63-37(27(5)6)45(73)64-38(28(7)8)47(75)66-22-14-18-36(66)44(72)62-34(48(76)77)24-26(3)4/h25-38H,11-24,51H2,1-10H3,(H,58,69)(H,59,67)(H,60,71)(H,61,70)(H,62,72)(H,63,68)(H,64,73)(H,76,77)(H4,52,53,56)(H4,54,55,57)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1