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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-5-guanidino-pentanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-valeric acid Formula: C36H65N11O10 MolecularWeight: 811.969

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C36H65N11O10/c1-7-20(6)28(33(54)43-23(14-18(2)3)30(51)45-25(17-48)31(52)44-24(35(56)57)15-19(4)5)46-32(53)26-11-9-13-47(26)34(55)22(10-8-12-41-36(39)40)42-29(50)21(37)16-27(38)49/h18-26,28,48H,7-17,37H2,1-6H3,(H2,38,49)(H,42,50)(H,43,54)(H,44,52)(H,45,51)(H,46,53)(H,56,57)(H4,39,40,41)/t20-,21-,22-,23-,24-,25-,26-,28-/m0/s1