(2R)-2-[[(2S)-2-[[(2R)-5-azanyl-2-[[(2S,3R)-2-[[(2R)-5-azanyl-2-[[(2S,4S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]-4-oxidanyl-pentanoyl]amino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]-4-oxidanyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2R)-5-azanyl-2-[[(2S,3R)-2-[[(2R)-5-azanyl-2-[[(2S,4S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]-4-oxidanyl-pentanoyl]amino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]-4-oxidanyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2R)-5-amino-2-[[(2S,3R)-2-[[(2R)-5-amino-2-[[(2S,4S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-4-hydroxy-pentanoyl]amino]pentanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]-5-guanidino-4-hydroxy-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2R)-2-[[(2S)-2-[[(2R)-5-amino-2-[[(2S,3R)-2-[[(2R)-5-amino-2-[[(2S,4S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-4-hydroxy-1-oxopentyl]amino]-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopentyl]amino]-5-(diaminomethylideneamino)-4-hydroxy-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2R)-5-amino-2-[[(2S,3R)-2-[[(2R)-5-amino-2-[[(2S,4S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)-4-hydroxypentanoyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)-4-hydroxypentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2R)-5-amino-2-[[(2S,3R)-2-[[(2R)-5-amino-2-[[(2S,4S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-4-hydroxy-pentanoyl]amino]pentanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]-5-guanidino-4-hydroxy-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C41H74N18O12 MolecularWeight: 1011.13966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCCN)C(=O)NC(CC(CN=C(N)N)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCCN)NC(=O)C(CC(CN=C(N)N)O)NC(=O)C(CCCN=C(N)N)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@H](CCCN)C(=O)N[C@@H](CC(CN=C(N)N)O)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@@H](CCCN)NC(=O)[C@H](C[C@@H](CN=C(N)N)O)NC(=O)[C@H](CCCN=C(N)N)N)O

InChI

InChI=1S/C41H74N18O12/c1-20(60)31(59-34(66)27(7-3-13-43)54-35(67)28(16-23(62)18-52-40(47)48)56-32(64)25(44)5-4-14-51-39(45)46)37(69)55-26(6-2-12-42)33(65)57-29(17-24(63)19-53-41(49)50)36(68)58-30(38(70)71)15-21-8-10-22(61)11-9-21/h8-11,20,23-31,60-63H,2-7,12-19,42-44H2,1H3,(H,54,67)(H,55,69)(H,56,64)(H,57,65)(H,58,68)(H,59,66)(H,70,71)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t20-,23+,24?,25+,26-,27-,28+,29+,30-,31+/m1/s1